molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3665819 |
|
IC50 |
= |
0.129 |
nM |
578.64 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(OC)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665831 |
OBDepict
CH
3
O
H
3
C
N
F
F
O
F
N
O
O
OH
|
IC50 |
= |
0.1523 |
nM |
554.57 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)c(F)cc2F)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665837 |
OBDepict
OH
O
N
O
O
N
O
F
F
F
F
F
F
|
IC50 |
= |
0.1645 |
nM |
580.48 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(OC(F)(F)F)ccc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665853 |
OBDepict
CH
3
O
N
O
CH
3
O
N
O
O
HO
|
IC50 |
= |
0.1715 |
nM |
476.53 |
COc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c(OC)cccc12 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665832 |
OBDepict
CH
3
O
CH
3
N
F
F
O
F
N
O
H
3
C
O
HO
|
IC50 |
= |
0.1881 |
nM |
568.59 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(C)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL4287248 |
OBDepict
F
F
Cl
N
O
N
O
O
HO
|
IC50 |
= |
0.2 |
nM |
553.01 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(Cl)c(-c5ccc(F)cc5F)c(C5CC5)c4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL4293458 |
OBDepict
OH
O
N
O
O
N
N
CH
3
H
3
C
F
F
F
|
IC50 |
= |
0.2 |
nM |
577.6 |
CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2c(-c3ccc(F)c(F)c3F)cccc21 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL3670748 |
OBDepict
O
O
N
N
O
HO
N
O
H
3
C
CH
3
|
IC50 |
= |
0.2245 |
nM |
553.66 |
CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2c(OCc3ccccc3)cccc21 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665838 |
OBDepict
CH
3
O
CH
3
N
F
F
O
F
N
O
O
H
3
C
O
HO
|
IC50 |
= |
0.2277 |
nM |
584.59 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(OC)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665854 |
OBDepict
H
3
C
O
Cl
N
O
CH
3
O
N
O
O
OH
|
IC50 |
= |
0.2329 |
nM |
525.0 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c(OC)ccc(Cl)c12 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665839 |
OBDepict
O
O
N
N
O
OH
F
F
F
|
IC50 |
= |
0.2432 |
nM |
536.55 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cc5c(cc4-c4cc(F)c(F)cc4F)CCC5)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670744 |
OBDepict
CH
3
N
H
3
C
N
N
O
O
N
O
O
HO
|
IC50 |
= |
0.2602 |
nM |
554.65 |
CC(C)n1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(OCc3ccccc3)ccc21 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665836 |
OBDepict
CH
3
O
CH
3
N
F
F
F
O
N
O
O
HO
|
IC50 |
= |
0.2715 |
nM |
554.57 |
CC(C)Oc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL4286244 |
OBDepict
O
O
N
N
O
OH
N
H
3
C
CH
3
|
IC50 |
= |
0.3 |
nM |
487.6 |
CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2c(C3CC3)cccc21 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL3670725 |
OBDepict
HO
O
N
O
O
N
CH
3
O
CH
3
H
3
C
|
IC50 |
= |
0.3174 |
nM |
464.56 |
Cc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c1OCCC2(C)C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665811 |
OBDepict
CH
3
O
O
N
H
3
C
F
O
N
O
N
N
N
H
N
|
IC50 |
= |
0.3227 |
nM |
572.64 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(-c4nnn[nH]4)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670754 |
OBDepict
O
O
N
N
O
HO
N
H
3
C
CH
3
F
F
F
|
IC50 |
= |
0.3418 |
nM |
577.6 |
CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(-c3ccc(F)c(F)c3F)ccc21 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665818 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
Cl
O
OH
|
IC50 |
= |
0.359 |
nM |
583.06 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2Cl)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL434159 |
OBDepict
H
2
N
N
S
N
N
N
O
N
H
H
3
C
|
Ki |
= |
0.38 |
nM |
484.63 |
Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 |
Homo sapiens |
CHEMBL827131 |
single protein format |
CHEMBL3665847 |
OBDepict
CH
3
O
CH
3
N
N
N
H
3
C
O
N
O
O
HO
|
IC50 |
= |
0.3946 |
nM |
504.59 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-n2cc(C)cn2)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665841 |
OBDepict
CH
3
O
CH
3
N
F
F
O
F
N
O
F
O
HO
|
IC50 |
= |
0.3973 |
nM |
572.56 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2F)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL252764 |
OBDepict
NH
2
N
H
H
O
O
O
H
2
N
H
3
C
H
N
H
|
IC50 |
= |
0.4 |
nM |
536.68 |
C[C@H](N)COC(=O)[C@H](CCCCN)NC(=O)Cc1c(-c2ccc3ccccc3c2)[nH]c2c1ccc1ccccc12 |
Homo sapiens |
CHEMBL945054 |
single protein format |
CHEMBL4289661 |
OBDepict
F
N
N
N
CH
3
H
3
C
O
N
O
O
HO
|
IC50 |
= |
0.4 |
nM |
542.61 |
CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2c(-c3ccc(F)cc3)ccnc21 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL518199 |
OBDepict
NH
2
N
H
H
O
O
O
H
2
N
H
3
C
H
N
H
|
IC50 |
= |
0.4 |
nM |
536.68 |
C[C@H](N)COC(=O)[C@@H](CCCCN)NC(=O)Cc1c(-c2ccc3ccccc3c2)[nH]c2c1ccc1ccccc12 |
Homo sapiens |
CHEMBL1009182 |
cell-based format |
CHEMBL3665834 |
OBDepict
CH
3
O
CH
3
N
N
O
F
N
O
O
HO
|
IC50 |
= |
0.4067 |
nM |
519.57 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)nc2)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665827 |
OBDepict
CH
3
O
CH
3
N
F
F
O
F
N
O
O
HO
|
IC50 |
= |
0.4089 |
nM |
554.57 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665763 |
OBDepict
O
O
N
N
O
OH
N
N
H
3
C
H
3
C
CH
3
Cl
F
|
IC50 |
= |
0.421 |
nM |
541.02 |
CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665855 |
OBDepict
H
3
C
O
N
N
F
F
F
O
N
O
O
OH
|
IC50 |
= |
0.4239 |
nM |
529.52 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2cnc(C(F)(F)F)cc12 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665820 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
F
O
OH
|
IC50 |
= |
0.4374 |
nM |
566.6 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2F)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665829 |
OBDepict
OH
O
N
O
O
N
F
F
F
F
F
F
|
IC50 |
= |
0.439 |
nM |
564.48 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665842 |
OBDepict
CH
3
O
CH
3
N
F
F
O
F
N
O
Cl
O
HO
|
IC50 |
= |
0.4677 |
nM |
589.01 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2Cl)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665828 |
OBDepict
CH
3
O
CH
3
N
F
F
O
F
N
O
CH
3
O
HO
|
IC50 |
= |
0.4739 |
nM |
568.59 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2C)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665823 |
OBDepict
H
3
C
O
N
F
F
O
N
O
O
OH
|
IC50 |
= |
0.4898 |
nM |
522.55 |
CCOc1ccc(-c2ccc(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665824 |
OBDepict
H
3
C
O
N
F
F
O
N
O
O
OH
|
IC50 |
= |
0.5024 |
nM |
522.55 |
CCOc1ccc(-c2ccc(F)c(F)c2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665826 |
OBDepict
H
3
C
O
CH
3
N
F
F
F
O
N
O
O
OH
|
IC50 |
= |
0.5465 |
nM |
554.57 |
CC(C)Oc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670755 |
OBDepict
Br
N
N
H
3
C
H
3
C
O
N
O
O
HO
|
IC50 |
= |
0.5502 |
nM |
526.43 |
CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(Br)ccc21 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665825 |
OBDepict
H
3
C
O
N
F
F
F
O
N
O
O
OH
|
IC50 |
= |
0.5561 |
nM |
540.54 |
CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665764 |
OBDepict
O
O
N
N
N
N
N
H
N
N
N
H
3
C
H
3
C
CH
3
F
F
Cl
|
IC50 |
= |
0.5824 |
nM |
583.04 |
CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(-c4nnn[nH]4)cc2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL4279392 |
OBDepict
HO
O
N
O
O
N
S
CH
3
H
3
C
|
IC50 |
= |
0.6 |
nM |
466.6 |
CC1(C)CCSc2ccc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cc21 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL3665840 |
OBDepict
CH
3
O
CH
3
N
N
O
N
F
F
F
O
O
HO
|
IC50 |
= |
0.6318 |
nM |
569.58 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(C(F)(F)F)nc2)cc1C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665852 |
OBDepict
CH
3
O
N
Cl
O
CH
3
O
N
O
O
HO
|
IC50 |
= |
0.6501 |
nM |
525.0 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c(OC)cc(Cl)cc12 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL4285917 |
OBDepict
O
O
N
N
O
OH
Cl
F
F
F
|
IC50 |
= |
0.7 |
nM |
508.92 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)c(Cl)cc4C4CC4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL4278161 |
OBDepict
H
3
C
O
O
N
H
3
C
F
N
S
O
O
|
IC50 |
= |
0.7 |
nM |
580.77 |
CCOc1cc(CN2CCC(C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL4270238 |
cell-based format |
CHEMBL3665849 |
OBDepict
H
3
C
O
N
O
CH
3
O
N
O
O
OH
|
IC50 |
= |
0.7036 |
nM |
490.56 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c(OC)cccc12 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670759 |
OBDepict
CH
3
O
N
S
N
CH
3
CH
3
H
3
C
O
N
O
O
HO
|
IC50 |
= |
0.7052 |
nM |
535.67 |
COc1ccc(-c2nc(C(C)(C)C)sc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665800 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
O
OH
|
IC50 |
= |
0.7683 |
nM |
548.61 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665821 |
OBDepict
H
3
C
O
N
F
F
F
O
N
O
O
OH
|
IC50 |
= |
0.7934 |
nM |
540.54 |
CCOc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL4278328 |
OBDepict
O
N
N
O
OH
N
H
3
C
CH
3
|
IC50 |
= |
0.8 |
nM |
485.63 |
CC(C)n1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)c2c(C3CC3)cccc21 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL3670746 |
OBDepict
CH
3
O
N
CH
3
CH
3
N
O
N
O
O
OH
|
IC50 |
= |
0.8512 |
nM |
477.56 |
COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cn(C(C)C)c2c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665810 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
N
O
OH
|
IC50 |
= |
0.9414 |
nM |
549.6 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665739 |
OBDepict
O
O
N
N
O
HO
N
N
Cl
F
|
IC50 |
= |
0.9429 |
nM |
567.06 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665850 |
OBDepict
H
3
C
O
N
O
H
3
C
O
N
O
O
OH
|
IC50 |
= |
0.9803 |
nM |
504.58 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c(OCC)cccc12 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665833 |
OBDepict
H
3
C
O
N
F
F
F
O
N
O
CH
3
O
OH
|
IC50 |
= |
0.9834 |
nM |
554.57 |
CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(C)c2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670750 |
OBDepict
H
3
C
N
N
O
H
3
C
O
N
O
O
HO
|
IC50 |
= |
1.065 |
nM |
477.56 |
CCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(OC)cc21 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665844 |
OBDepict
O
O
N
N
O
OH
Cl
H
3
C
F
F
F
|
IC50 |
= |
1.134 |
nM |
544.96 |
Cc1cc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1Cl |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665817 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
F
O
OH
|
IC50 |
= |
1.153 |
nM |
566.6 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665815 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
H
3
C
O
OH
|
IC50 |
= |
1.184 |
nM |
562.64 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2C)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL227212 |
OBDepict
NH
2
N
H
N
H
O
O
N
H
N
H
H
O
|
IC50 |
= |
1.2 |
nM |
551.69 |
NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O |
Homo sapiens |
CHEMBL888503 |
single protein format |
CHEMBL4284956 |
OBDepict
O
O
N
N
O
OH
H
3
C
F
F
F
F
F
F
|
IC50 |
= |
1.2 |
nM |
578.51 |
Cc1cc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1C(F)(F)F |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL4288391 |
OBDepict
H
3
C
O
O
N
CH
3
F
N
O
O
OH
|
IC50 |
= |
1.2 |
nM |
546.64 |
CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL3665808 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
Cl
O
OH
|
IC50 |
= |
1.207 |
nM |
583.06 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(Cl)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670727 |
OBDepict
OH
O
N
O
O
N
Cl
O
H
3
C
CH
3
|
IC50 |
= |
1.253 |
nM |
484.98 |
CC1(C)CCOc2c(Cl)cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cc21 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665768 |
OBDepict
O
O
N
N
O
OH
N
N
F
F
F
|
IC50 |
= |
1.291 |
nM |
568.6 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL1210207 |
OBDepict
CH
3
O
O
N
CH
3
F
NH
O
N
H
3
C
|
IC50 |
= |
1.3 |
nM |
491.61 |
CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL4270238 |
cell-based format |
CHEMBL3665845 |
OBDepict
O
O
N
N
O
OH
Cl
H
3
C
N
F
|
IC50 |
= |
1.308 |
nM |
509.97 |
Cc1cc(-c2ccc(F)nc2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1Cl |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665754 |
OBDepict
O
O
N
N
O
OH
N
N
F
F
F
|
IC50 |
= |
1.327 |
nM |
568.6 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670758 |
OBDepict
CH
3
O
N
S
N
O
N
O
O
HO
|
IC50 |
= |
1.337 |
nM |
561.7 |
COc1ccc(-c2nc(C3CCCCC3)sc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665803 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
N
O
OH
|
IC50 |
= |
1.402 |
nM |
549.6 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)nc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665807 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
CH
3
O
OH
|
IC50 |
= |
1.419 |
nM |
562.64 |
CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(C)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670756 |
OBDepict
CH
3
O
N
N
CH
3
CH
3
O
N
O
O
HO
|
IC50 |
= |
1.446 |
nM |
477.56 |
COc1ccc2c(c1)c(CN1CCC3(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O3)cn2C(C)C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665801 |
OBDepict
CH
3
O
O
N
H
3
C
F
O
N
O
N
HO
|
IC50 |
= |
1.464 |
nM |
521.59 |
CCOc1cc(CN2CCC3(CC2)CN(c2cncc(O)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665830 |
OBDepict
F
N
N
F
F
F
O
N
O
O
OH
|
IC50 |
= |
1.492 |
nM |
529.49 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4-c4ccc(F)nc4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665846 |
OBDepict
H
3
C
O
N
N
S
O
N
O
O
OH
|
IC50 |
= |
1.503 |
nM |
493.59 |
CCOc1ccc(-c2nccs2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665742 |
OBDepict
O
O
N
N
O
OH
N
N
F
F
F
|
IC50 |
= |
1.533 |
nM |
582.62 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3670722 |
OBDepict
HO
O
N
O
O
N
O
CH
3
H
3
C
|
IC50 |
= |
1.536 |
nM |
450.54 |
CC1(C)CCOc2ccc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cc21 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665743 |
OBDepict
CH
3
H
3
C
N
N
N
F
F
F
O
N
O
O
OH
|
IC50 |
= |
1.543 |
nM |
590.6 |
Cc1ccc(-n2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)c(-c3ccc(F)c(F)c3F)n2)c(C)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665772 |
OBDepict
O
O
N
H
3
C
N
O
OH
N
N
CH
3
CH
3
H
3
C
F
F
F
|
IC50 |
= |
1.589 |
nM |
556.59 |
Cc1cc(C(=O)O)ccc1N1CC2(CCN(Cc3cn(C(C)(C)C)nc3-c3ccc(F)c(F)c3F)CC2)OC1=O |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL4292255 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
O
F
|
IC50 |
= |
1.6 |
nM |
535.63 |
CCOc1cc(CN2CCC3(CC2)CC(Cc2ccc(F)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL4270238 |
cell-based format |
CHEMBL363092 |
OBDepict
H
2
N
N
S
N
N
N
N
H
F
|
Ki |
= |
1.7 |
nM |
460.58 |
NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 |
Homo sapiens |
CHEMBL827131 |
single protein format |
CHEMBL3670765 |
OBDepict
O
O
N
N
O
OH
S
N
H
3
C
H
3
C
CH
3
F
F
F
|
IC50 |
= |
1.735 |
nM |
559.61 |
CC(C)(C)c1nc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)s1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL4281446 |
OBDepict
OH
O
N
O
O
N
F
F
F
|
IC50 |
= |
1.8 |
nM |
474.48 |
O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(C(F)(F)F)c(C5CC5)c4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL3670728 |
OBDepict
OH
O
N
O
O
N
CH
3
O
CH
3
|
IC50 |
= |
1.815 |
nM |
450.54 |
Cc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c1OCCC2C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665789 |
OBDepict
O
O
N
N
O
OH
N
N
F
F
F
|
IC50 |
= |
1.834 |
nM |
562.55 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cnn(-c5ccccc5)c4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665765 |
OBDepict
F
F
N
N
N
H
3
C
H
3
C
CH
3
O
N
O
O
OH
|
IC50 |
= |
1.954 |
nM |
524.57 |
CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)cc2F)n1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665746 |
OBDepict
CH
3
O
N
N
N
O
N
O
O
HO
|
IC50 |
= |
2.005 |
nM |
538.6 |
COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665759 |
OBDepict
HO
O
N
O
O
N
N
N
F
F
F
|
IC50 |
= |
2.01 |
nM |
582.62 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(C(F)(F)F)cc4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665767 |
OBDepict
CH
3
O
F
N
N
N
CH
3
CH
3
H
3
C
O
N
O
O
HO
|
IC50 |
= |
2.046 |
nM |
536.6 |
COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(F)c1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665766 |
OBDepict
O
O
N
N
O
OH
N
N
H
3
C
H
3
C
CH
3
F
F
Cl
|
IC50 |
= |
2.088 |
nM |
559.01 |
CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL187768 |
OBDepict
NH
2
N
S
N
N
N
N
H
CH
3
|
Ki |
= |
2.1 |
nM |
456.62 |
Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 |
Homo sapiens |
CHEMBL827131 |
single protein format |
CHEMBL4289325 |
OBDepict
O
O
N
N
O
OH
F
F
F
|
IC50 |
= |
2.1 |
nM |
474.48 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4C4CC4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL4270312 |
cell-based format |
CHEMBL3665804 |
OBDepict
H
3
C
O
O
N
CH
3
F
O
N
O
N
O
OH
|
IC50 |
= |
2.12 |
nM |
549.6 |
CCOc1cc(CN2CCC3(CC2)CN(c2cncc(C(=O)O)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665752 |
OBDepict
O
O
N
N
O
OH
N
N
CH
3
H
3
C
F
F
F
|
IC50 |
= |
2.136 |
nM |
528.53 |
CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665745 |
OBDepict
F
F
F
N
N
N
H
3
C
H
3
C
CH
3
O
N
O
O
OH
|
IC50 |
= |
2.164 |
nM |
542.56 |
CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2c(F)cc(F)cc2F)n1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665816 |
OBDepict
CH
3
O
O
N
H
3
C
F
O
N
O
N
O
OH
|
IC50 |
= |
2.215 |
nM |
549.6 |
CCOc1cc(CN2CCC3(CC2)CN(c2cc(C(=O)O)ccn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665738 |
OBDepict
O
O
N
N
O
OH
N
N
H
3
C
H
3
C
CH
3
F
F
F
|
IC50 |
= |
2.235 |
nM |
542.56 |
CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665758 |
OBDepict
O
O
N
N
O
OH
N
N
O
F
F
F
|
IC50 |
= |
2.257 |
nM |
598.62 |
O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL189554 |
OBDepict
H
2
N
N
S
N
N
N
N
H
Cl
|
Ki |
= |
2.3 |
nM |
477.04 |
NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 |
Homo sapiens |
CHEMBL827131 |
single protein format |
CHEMBL3665843 |
OBDepict
O
O
N
N
O
HO
Cl
CH
3
N
CH
3
|
IC50 |
= |
2.302 |
nM |
506.0 |
Cc1ccc(-c2cc(C)c(Cl)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cn1 |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL3665848 |
OBDepict
HO
O
N
O
O
N
CH
3
O
H
3
C
H
3
C
|
IC50 |
= |
2.38 |
nM |
450.54 |
Cc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c1OCC2(C)C |
Homo sapiens |
CHEMBL3705142 |
single protein format |
CHEMBL1210141 |
OBDepict
CH
3
O
O
N
CH
3
O
NH
F
F
F
O
N
H
3
C
|
Ki |
= |
2.4 |
nM |
557.61 |
CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1212335 |
cell-based format |