molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1289926 |
|
IC50 |
= |
0.1 |
nM |
386.48 |
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 |
Homo sapiens |
CHEMBL4271313 |
single protein format |
CHEMBL3939307 |
OBDepict
H
3
C
N
H
O
S
N
H
N
N
|
IC50 |
= |
0.1 |
nM |
388.5 |
CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1 |
Homo sapiens |
CHEMBL3871601 |
single protein format |
CHEMBL1289494 |
OBDepict
CH
3
O
O
H
3
C
O
N
Cl
N
H
NH
O
N
O
H
3
C
|
IC50 |
= |
0.21 |
nM |
454.87 |
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC |
Homo sapiens |
CHEMBL2186469 |
single protein format |
CHEMBL429743 |
OBDepict
H
3
C
O
O
H
3
C
O
N
N
H
O
Cl
|
IC50 |
= |
0.5 |
nM |
484.94 |
COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC |
Homo sapiens |
CHEMBL933144 |
single protein format |
CHEMBL30327 |
OBDepict
Cl
Cl
O
O
Cl
Cl
|
Ki |
= |
0.697 |
nM |
321.97 |
Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2 |
Homo sapiens |
CHEMBL1909118 |
cell-based format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
IC50 |
= |
1.0 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL2090041 |
single protein format |
CHEMBL4062877 |
OBDepict
OH
HN
H
N
HO
F
N
H
3
C
N
H
|
IC50 |
= |
1.0 |
nM |
454.51 |
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)ccc3O)cc12 |
Homo sapiens |
CHEMBL4018637 |
single protein format |
CHEMBL378024 |
OBDepict
O
HN
HN
CH
3
H
3
C
CH
3
N
N
H
N
N
H
N
N
|
IC50 |
= |
1.0 |
nM |
514.68 |
CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c2c1 |
Homo sapiens |
CHEMBL862849 |
single protein format |
CHEMBL2180602 |
OBDepict
CH
3
N
H
3
C
NH
O
CH
3
N
H
O
HN
F
|
IC50 |
= |
1.3 |
nM |
424.52 |
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21 |
Homo sapiens |
CHEMBL2434170 |
single protein format |
CHEMBL3646211 |
OBDepict
OH
OH
H
N
N
N
S
H
2
N
N
H
NH
O
O
H
3
C
|
IC50 |
= |
1.45 |
nM |
530.61 |
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](O)CO)c5)cnc(N)c34)cc2)cc1 |
Homo sapiens |
CHEMBL3707719 |
single protein format |
CHEMBL1969102 |
OBDepict
O
N
H
N
H
CH
3
S
NH
2
N
N
N
H
|
IC50 |
= |
1.9 |
nM |
440.53 |
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL3707719 |
single protein format |
CHEMBL390156 |
OBDepict
H
3
C
N
N
N
H
N
S
O
|
IC50 |
= |
2.0 |
nM |
480.64 |
CN1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccccc5)c4)n[nH]c2-3)CC1 |
Homo sapiens |
CHEMBL914193 |
single protein format |
CHEMBL196363 |
OBDepict
O
N
H
N
H
CH
3
S
NH
2
N
N
|
IC50 |
= |
2.0 |
nM |
375.46 |
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL882597 |
single protein format |
CHEMBL1271641 |
OBDepict
HO
HO
N
N
N
O
N
O
|
IC50 |
= |
2.0 |
nM |
432.48 |
Oc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1O |
Homo sapiens |
CHEMBL1272381 |
single protein format |
CHEMBL377230 |
OBDepict
H
N
N
N
N
H
F
F
F
N
N
|
IC50 |
= |
2.0 |
nM |
468.53 |
FC(F)(F)c1ccc2c(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)[nH]nc2c1 |
Homo sapiens |
CHEMBL862849 |
single protein format |
CHEMBL311109 |
OBDepict
NH
2
O
N
S
N
N
N
H
N
H
|
IC50 |
= |
2.0 |
nM |
482.61 |
NC(=O)C1CCN(Cc2ccc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL572881 |
OBDepict
O
N
H
N
N
H
N
H
CH
3
CH
3
N
|
IC50 |
= |
2.0 |
nM |
373.46 |
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 |
Homo sapiens |
CHEMBL2186469 |
single protein format |
CHEMBL347086 |
OBDepict
CH
3
O
O
O
N
H
3
C
N
N
H
F
OH
Cl
|
IC50 |
< |
2.0 |
nM |
393.8 |
COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL811931 |
single protein format |
CHEMBL3660275 |
OBDepict
O
N
H
N
H
H
3
C
O
N
N
H
O
OH
|
IC50 |
= |
2.0 |
nM |
428.45 |
Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
Ki |
= |
2.0 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL3296760 |
single protein format |
CHEMBL3646210 |
OBDepict
O
NH
N
H
CH
3
S
H
2
N
N
N
N
OH
H
3
C
H
|
IC50 |
= |
2.04 |
nM |
498.61 |
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](C)O)c5)cnc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL3707719 |
single protein format |
CHEMBL30327 |
OBDepict
Cl
Cl
O
O
Cl
Cl
|
IC50 |
= |
2.69 |
nM |
321.97 |
Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2 |
Homo sapiens |
CHEMBL1909118 |
cell-based format |
CHEMBL453057 |
OBDepict
O
NH
N
H
CH
3
N
H
2
N
N
N
N
CH
3
|
IC50 |
= |
3.0 |
nM |
437.51 |
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)ccn4c3N)cc2)c1 |
Homo sapiens |
CHEMBL948365 |
single protein format |
CHEMBL522892 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
F
|
IC50 |
= |
3.0 |
nM |
392.44 |
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 |
Homo sapiens |
CHEMBL1011003 |
single protein format |
CHEMBL3934424 |
OBDepict
H
3
C
N
CH
3
N
H
O
S
N
O
N
H
NH
O
F
H
3
C
|
IC50 |
= |
3.0 |
nM |
549.67 |
CCN(CC)CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL433936 |
OBDepict
CH
3
O
O
O
N
H
3
C
N
H
F
OH
Cl
|
IC50 |
= |
3.0 |
nM |
392.81 |
COCCOc1cc2nccc(Nc3cc(O)c(Cl)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL811931 |
single protein format |
CHEMBL81375 |
OBDepict
OH
N
CH
3
S
N
HN
N
H
CH
3
|
IC50 |
= |
3.0 |
nM |
442.59 |
Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CN(C)CCO)cc5)sc34)ccc2[nH]1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL205893 |
OBDepict
CH
3
N
N
N
N
H
OH
N
NH
2
N
|
IC50 |
= |
3.0 |
nM |
375.44 |
CN1CCN(c2ccc3[nH]c(-c4c(O)nc5cnccc5c4N)nc3c2)CC1 |
Homo sapiens |
CHEMBL865651 |
single protein format |
CHEMBL79060 |
OBDepict
H
3
C
N
H
NH
S
N
NH
N
N
H
|
IC50 |
= |
3.0 |
nM |
496.68 |
Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCN6CCNCC6)cc5)sc34)ccc2[nH]1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL3932948 |
OBDepict
OH
N
N
H
O
S
N
O
N
H
N
H
O
F
CH
3
|
IC50 |
= |
3.0 |
nM |
591.71 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCN5CCCC(CO)C5)sc34)cc2)c1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL223360 |
OBDepict
O
N
H
N
H
F
CH
3
NH
2
N
N
H
|
IC50 |
= |
3.0 |
nM |
375.41 |
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 |
Homo sapiens |
CHEMBL919908 |
single protein format |
CHEMBL3696074 |
OBDepict
O
N
H
N
H
S
N
O
NH
2
N
O
N
H
HN
O
CH
3
|
IC50 |
= |
3.0 |
nM |
537.65 |
Cc1cccc(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCCN4CCOCC4)c3C(N)=O)cc2)c1 |
Homo sapiens |
CHEMBL3707528 |
single protein format |
CHEMBL3656096 |
OBDepict
O
N
H
N
H
F
CH
3
O
N
N
H
O
HO
|
IC50 |
= |
3.0 |
nM |
446.44 |
Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2F)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL223971 |
OBDepict
CH
3
O
O
S
N
N
H
N
N
N
|
IC50 |
< |
3.0 |
nM |
431.52 |
COCCOCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(Cn4cncn4)cc2-3)cs1 |
Homo sapiens |
CHEMBL914193 |
single protein format |
CHEMBL3656087 |
OBDepict
O
N
H
N
H
F
F
CH
3
O
N
N
H
NH
O
O
HO
|
IC50 |
= |
3.0 |
nM |
549.53 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)O)c[nH]4)c3)cc2F)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL2010872 |
OBDepict
CH
3
H
3
C
N
N
H
N
H
N
N
O
N
N
CH
3
|
IC50 |
= |
3.0 |
nM |
477.57 |
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL2016112 |
single protein format |
CHEMBL3764474 |
OBDepict
O
HN
HN
S
F
O
N
S
N
N
H
3
C
|
IC50 |
= |
3.0 |
nM |
517.61 |
Cn1ccnc1-c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2s1 |
Homo sapiens |
CHEMBL3767456 |
single protein format |
CHEMBL377346 |
OBDepict
H
N
N
N
N
N
H
O
N
|
IC50 |
= |
3.0 |
nM |
506.65 |
c1ccc(COc2ccc3[nH]nc(-c4nc5cc(N6CCC(N7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1 |
Homo sapiens |
CHEMBL862849 |
single protein format |
CHEMBL2180604 |
OBDepict
CH
3
N
N
H
3
C
NH
O
CH
3
O
N
N
N
N
H
O
|
IC50 |
= |
3.2 |
nM |
445.48 |
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1 |
Homo sapiens |
CHEMBL2186469 |
single protein format |
CHEMBL2409778 |
OBDepict
CH
3
N
N
H
3
C
NH
O
F
O
N
N
N
N
H
O
|
IC50 |
= |
3.6 |
nM |
449.45 |
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1 |
Homo sapiens |
CHEMBL2410839 |
single protein format |
CHEMBL1171837 |
OBDepict
H
3
C
N
N
F
F
F
N
H
O
CH
3
N
N
N
|
IC50 |
= |
3.7 |
nM |
532.57 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL4721788 |
single protein format |
CHEMBL80809 |
OBDepict
CH
3
NH
O
HN
S
N
N
N
H
N
H
|
IC50 |
= |
4.0 |
nM |
456.58 |
CC(=O)NCCNCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL205108 |
OBDepict
OH
N
N
N
NH
2
N
H
N
O
|
IC50 |
= |
4.0 |
nM |
362.39 |
Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(O)nc2cnccc12 |
Homo sapiens |
CHEMBL865651 |
single protein format |
CHEMBL383618 |
OBDepict
OH
N
N
N
NH
2
N
H
|
IC50 |
= |
4.0 |
nM |
277.29 |
Nc1c(-c2nc3ccccc3[nH]2)c(O)nc2cnccc12 |
Homo sapiens |
CHEMBL865651 |
single protein format |
CHEMBL379740 |
OBDepict
O
N
H
HN
H
3
C
CH
3
H
3
C
N
N
N
N
H
H
N
N
|
IC50 |
= |
4.0 |
nM |
514.68 |
CC(C)(C)NC(=O)Nc1cccc2[nH]nc(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c12 |
Homo sapiens |
CHEMBL862849 |
single protein format |
CHEMBL3944753 |
OBDepict
O
N
H
N
H
F
CH
3
O
S
N
N
H
O
N
N
N
N
H
|
IC50 |
= |
4.0 |
nM |
546.59 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCc5nn[nH]n5)sc34)cc2)c1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL80164 |
OBDepict
OH
N
H
S
N
HN
N
H
CH
3
|
IC50 |
= |
4.0 |
nM |
428.56 |
Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCO)cc5)sc34)ccc2[nH]1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL3656099 |
OBDepict
O
N
H
N
H
F
H
3
C
O
N
N
H
HN
O
O
OH
|
IC50 |
= |
4.0 |
nM |
531.54 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)O)c[nH]4)c3)cc2)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL79206 |
OBDepict
OH
N
CH
3
S
N
N
H
N
H
|
IC50 |
= |
4.0 |
nM |
428.56 |
CN(CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL421326 |
OBDepict
HO
O
HN
S
N
N
H
N
H
|
IC50 |
= |
4.0 |
nM |
458.59 |
OCCOCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL3656086 |
OBDepict
O
NH
NH
F
F
CH
3
O
N
N
H
N
O
O
OH
|
IC50 |
= |
4.0 |
nM |
561.55 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CCC(C(=O)O)C5)c[nH]4)c3)cc2F)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL1271532 |
OBDepict
H
N
N
N
N
N
O
N
O
|
IC50 |
= |
4.0 |
nM |
390.45 |
c1cc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)ccc1OCCN1CCOCC1 |
Homo sapiens |
CHEMBL1272381 |
single protein format |
CHEMBL312818 |
OBDepict
H
N
HN
N
S
N
N
N
N
|
IC50 |
= |
4.0 |
nM |
465.59 |
c1ccc(CCCN(c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)n2ccnc2)cc1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL3660294 |
OBDepict
O
N
H
N
H
F
CH
3
O
N
N
H
O
HO
|
IC50 |
= |
4.0 |
nM |
446.44 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL77452 |
OBDepict
HO
N
H
S
N
N
H
N
H
|
IC50 |
= |
4.0 |
nM |
428.56 |
OCCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL3740487 |
OBDepict
F
N
H
O
O
N
N
N
H
S
O
O
CH
3
|
IC50 |
= |
4.2 |
nM |
542.59 |
CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5cccc(F)c5)cccc4c3)n2)c1 |
Homo sapiens |
CHEMBL3742725 |
single protein format |
CHEMBL2004290 |
OBDepict
CH
3
O
N
H
N
H
O
S
NH
2
N
N
N
HO
H
3
C
CH
3
|
IC50 |
= |
4.29 |
nM |
528.64 |
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1 |
Homo sapiens |
CHEMBL3707719 |
single protein format |
CHEMBL3739732 |
OBDepict
O
N
H
N
O
N
N
N
H
S
O
O
CH
3
|
IC50 |
= |
4.9 |
nM |
525.59 |
CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5cccnc5)cccc4c3)n2)c1 |
Homo sapiens |
CHEMBL3742725 |
single protein format |
CHEMBL3656104 |
OBDepict
O
NH
NH
F
CH
3
O
N
N
H
N
O
O
OH
|
IC50 |
= |
5.0 |
nM |
543.56 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CCC(C(=O)O)C5)c[nH]4)c3)cc2)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL255955 |
OBDepict
O
N
H
HN
F
F
F
N
H
2
N
N
N
H
|
IC50 |
= |
5.0 |
nM |
412.38 |
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 |
Homo sapiens |
CHEMBL930125 |
single protein format |
CHEMBL3656090 |
OBDepict
HO
O
N
H
O
N
H
N
O
F
N
H
N
H
O
F
CH
3
|
IC50 |
= |
5.0 |
nM |
535.51 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCC(=O)O)c[nH]4)c3)cc2F)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL3656114 |
OBDepict
CH
3
N
H
O
N
H
N
O
N
H
N
H
O
H
3
C
|
IC50 |
= |
5.0 |
nM |
455.52 |
CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)ccn2)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL311111 |
OBDepict
CH
3
N
H
HN
S
N
N
O
|
IC50 |
= |
5.0 |
nM |
454.6 |
Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CN6CCOCC6)cc5)sc34)ccc2[nH]1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL3961927 |
OBDepict
CH
3
N
CH
3
NH
O
S
N
O
N
H
HN
O
F
CH
3
|
IC50 |
= |
5.0 |
nM |
535.65 |
CCN(CC)CCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL491473 |
OBDepict
CH
3
O
O
N
O
N
N
F
N
H
H
3
C
|
IC50 |
= |
5.0 |
nM |
450.51 |
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 |
Homo sapiens |
CHEMBL2186469 |
single protein format |
CHEMBL77342 |
OBDepict
HO
O
N
H
S
N
HN
N
H
CH
3
|
IC50 |
= |
5.0 |
nM |
472.61 |
Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCOCCO)cc5)sc34)ccc2[nH]1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL78700 |
OBDepict
HO
N
H
S
N
HN
N
H
CH
3
|
IC50 |
= |
5.0 |
nM |
442.59 |
Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCCO)cc5)sc34)ccc2[nH]1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL312482 |
OBDepict
H
N
N
H
S
N
N
O
|
IC50 |
= |
5.0 |
nM |
440.57 |
c1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCOCC4)cc3)cc2n1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL1784637 |
OBDepict
HO
N
N
F
F
F
N
H
O
CH
3
N
N
CH
3
N
H
O
CH
3
|
IC50 |
= |
5.2 |
nM |
582.63 |
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C |
Homo sapiens |
CHEMBL1785584 |
single protein format |
CHEMBL4539051 |
OBDepict
H
3
C
O
NH
N
O
NH
N
N
O
H
3
C
O
CH
3
|
IC50 |
= |
5.5 |
nM |
485.54 |
COc1cccc(NC(=O)N2CCCc3cc(Nc4ncnc5cc(OC)c(OC)cc45)ccc32)c1 |
Homo sapiens |
CHEMBL4332295 |
single protein format |
CHEMBL3896004 |
OBDepict
CH
3
O
O
N
H
N
H
O
S
N
O
N
H
HN
O
F
CH
3
|
IC50 |
= |
6.0 |
nM |
565.63 |
COC(=O)CNCCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL3934764 |
OBDepict
H
3
C
N
N
NH
O
S
N
O
F
N
H
N
H
O
F
CH
3
|
IC50 |
= |
6.0 |
nM |
594.69 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCN5CCN(C)CC5)sc34)cc2F)c1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL310740 |
OBDepict
OH
N
H
S
N
N
H
N
H
|
IC50 |
= |
6.0 |
nM |
414.53 |
OCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL245377 |
OBDepict
CH
3
N
N
N
H
O
N
N
H
S
O
|
IC50 |
= |
6.0 |
nM |
523.66 |
CN1CCN(CC(=O)Nc2cccc3c2Cc2c-3n[nH]c2-c2csc(C#CCOc3ccccc3)c2)CC1 |
Homo sapiens |
CHEMBL906390 |
single protein format |
CHEMBL204985 |
OBDepict
OH
N
N
N
NH
2
N
N
H
|
IC50 |
= |
6.0 |
nM |
278.28 |
Nc1c(-c2nc3ccc[nH]c-3n2)c(O)nc2cnccc12 |
Homo sapiens |
CHEMBL865651 |
single protein format |
CHEMBL3656111 |
OBDepict
O
NH
NH
CH
3
O
N
N
H
N
O
H
OH
|
IC50 |
= |
6.0 |
nM |
511.58 |
Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CCC[C@@H](O)C5)c[nH]4)c3)cc2)c1 |
Homo sapiens |
CHEMBL3707664 |
single protein format |
CHEMBL2409779 |
OBDepict
H
3
C
N
N
CH
3
N
H
O
O
N
N
N
H
O
|
IC50 |
= |
6.4 |
nM |
430.47 |
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1 |
Homo sapiens |
CHEMBL2410839 |
single protein format |
CHEMBL80540 |
OBDepict
H
N
N
H
S
N
N
H
N
N
H
|
IC50 |
= |
7.0 |
nM |
482.66 |
c1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CNCCN4CCNCC4)cc3)cc2n1 |
Homo sapiens |
CHEMBL811929 |
single protein format |
CHEMBL3897945 |
OBDepict
OH
O
HN
O
S
N
O
N
H
N
H
O
F
CH
3
|
IC50 |
= |
7.0 |
nM |
522.56 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCC(=O)O)sc34)cc2)c1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL3696076 |
OBDepict
O
N
H
N
H
S
N
O
NH
2
N
O
N
H
HN
O
CH
3
|
IC50 |
= |
7.0 |
nM |
537.65 |
Cc1ccc(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCCN4CCOCC4)c3C(N)=O)cc2)cc1 |
Homo sapiens |
CHEMBL3707528 |
single protein format |
CHEMBL3927233 |
OBDepict
HO
O
NH
O
S
N
O
F
N
H
N
H
O
F
CH
3
|
IC50 |
= |
7.0 |
nM |
540.55 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCC(=O)O)sc34)cc2F)c1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL404367 |
OBDepict
O
HN
N
H
CH
3
N
NH
2
N
N
H
3
C
|
IC50 |
= |
7.0 |
nM |
372.43 |
Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1 |
Homo sapiens |
CHEMBL930125 |
single protein format |
CHEMBL2086760 |
OBDepict
CH
3
N
N
H
N
H
O
N
N
H
Cl
|
IC50 |
= |
7.0 |
nM |
447.97 |
CCN1CCC(Nc2ccc3c(c2)C(=C(c2ccc(Cl)cc2)c2ncc[nH]2)C(=O)N3)CC1 |
Homo sapiens |
CHEMBL2090041 |
single protein format |
CHEMBL2220486 |
OBDepict
CH
3
NH
O
O
N
O
CH
3
O
NH
2
|
IC50 |
= |
7.0 |
nM |
443.5 |
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12 |
Homo sapiens |
CHEMBL3998331 |
single protein format |
CHEMBL3918251 |
OBDepict
O
NH
N
H
F
F
CH
3
O
S
N
N
H
O
N
O
|
IC50 |
= |
7.0 |
nM |
581.65 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCN5CCOCC5)sc34)cc2F)c1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL2180605 |
OBDepict
CH
3
NH
O
O
N
O
CH
3
O
NH
2
ClH
|
IC50 |
= |
7.0 |
nM |
479.96 |
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12.Cl |
Homo sapiens |
CHEMBL2186469 |
single protein format |
CHEMBL4589270 |
OBDepict
CH
3
O
O
CH
3
N
N
H
N
N
N
H
O
Cl
|
IC50 |
= |
7.1 |
nM |
489.96 |
COc1cc2ncnc(Nc3ccc4c(c3)CCCN4C(=O)Nc3cccc(Cl)c3)c2cc1OC |
Homo sapiens |
CHEMBL4332295 |
single protein format |
CHEMBL2348996 |
OBDepict
H
3
C
N
N
CH
3
N
H
O
O
N
N
N
N
H
O
|
IC50 |
= |
7.4 |
nM |
431.46 |
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1 |
Homo sapiens |
CHEMBL2410839 |
single protein format |
CHEMBL3765306 |
OBDepict
O
HN
O
+
N
H
3
C
F
O
N
N
N
H
O
ClH
|
IC50 |
= |
7.7 |
nM |
575.02 |
CC1=[N+](c2ccccc2)C(=O)C(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)C=C1.Cl |
Homo sapiens |
CHEMBL3767460 |
single protein format |
CHEMBL4793380 |
OBDepict
O
NH
N
H
N
O
H
3
C
H
3
C
CH
3
N
H
N
O
N
HN
|
IC50 |
= |
8.0 |
nM |
423.48 |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 |
Homo sapiens |
CHEMBL4767005 |
single protein format |
CHEMBL212429 |
OBDepict
CH
3
N
N
CH
3
N
N
H
N
H
N
|
IC50 |
= |
8.0 |
nM |
360.47 |
CN1CCC(N(C)c2ccc3[nH]c(-c4[nH]nc5ccccc45)nc3c2)CC1 |
Homo sapiens |
CHEMBL862849 |
single protein format |
CHEMBL258015 |
OBDepict
CH
3
O
N
H
3
C
N
N
H
CH
3
CH
3
O
N
N
H
3
C
|
IC50 |
= |
8.0 |
nM |
455.56 |
CO/N=C(C)c1ccc2c(c1)c1c3c(c4c(c1n2CC(C)C)CCc1nn(C)cc1-4)C(=O)NC3 |
Homo sapiens |
CHEMBL929891 |
single protein format |
CHEMBL3966952 |
OBDepict
CH
3
O
O
N
O
S
N
O
F
N
H
N
H
O
F
CH
3
|
IC50 |
= |
8.0 |
nM |
566.59 |
COC(=O)C1CCN(C(=O)c2cc3nccc(Oc4ccc(NC(=O)Nc5cc(C)ccc5F)c(F)c4)c3s2)C1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL3910242 |
OBDepict
HO
N
NH
O
S
N
O
F
N
H
N
H
O
F
CH
3
|
IC50 |
= |
8.0 |
nM |
595.67 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCN5CCC(O)CC5)sc34)cc2F)c1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL276711 |
OBDepict
O
N
H
N
H
3
C
H
CH
3
|
IC50 |
= |
8.0 |
nM |
238.29 |
Cc1cc(C)c(/C=C2C(=O)Nc3ccccc32)[nH]1 |
Homo sapiens |
CHEMBL677133 |
single protein format |
CHEMBL3979830 |
OBDepict
H
3
C
O
O
N
H
N
H
O
S
N
O
F
N
H
NH
O
F
H
3
C
|
IC50 |
= |
8.0 |
nM |
583.62 |
COC(=O)CNCCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL2206666 |
OBDepict
O
NH
F
F
F
O
N
N
N
|
IC50 |
= |
8.4 |
nM |
398.34 |
O=C(Nc1cccc(Oc2ccc3nccn3n2)c1)c1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL2215712 |
single protein format |
CHEMBL3696072 |
OBDepict
O
N
H
N
H
S
N
O
NH
2
N
O
N
H
N
H
O
|
IC50 |
= |
9.0 |
nM |
523.62 |
NC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)nsc1NC(=O)NCCCN1CCOCC1 |
Homo sapiens |
CHEMBL3707528 |
single protein format |
CHEMBL3890891 |
OBDepict
CH
3
O
O
N
H
N
H
O
S
N
O
F
N
H
NH
O
F
H
3
C
|
IC50 |
= |
9.0 |
nM |
569.59 |
COC(=O)CNCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1 |
Homo sapiens |
CHEMBL3888412 |
single protein format |
CHEMBL3906088 |
OBDepict
H
3
C
N
N
NH
O
S
N
O
N
H
N
H
O
F
CH
3
|
IC50 |
= |
9.0 |
nM |
576.7 |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCN5CCN(C)CC5)sc34)cc2)c1 |
Homo sapiens |
CHEMBL3888413 |
cell-based format |