molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL225155 |
|
IC50 |
= |
0.23 |
nM |
379.48 |
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL114606 |
OBDepict
H
3
C
NH
2
O
OH
P
O
OH
HO
|
IC50 |
= |
0.77 |
nM |
387.46 |
CCCCCCCCc1ccc(CCC(N)(CO)COP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL117130 |
OBDepict
H
3
C
O
H
2
N
P
OH
O
OH
OH
|
IC50 |
= |
0.8 |
nM |
373.43 |
CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL119440 |
OBDepict
H
3
C
O
H
3
C
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
0.8 |
nM |
385.49 |
CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL119116 |
OBDepict
H
3
C
O
Cl
Cl
N
H
P
O
OH
OH
|
IC50 |
= |
1.0 |
nM |
426.32 |
CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL119382 |
OBDepict
H
3
C
N
N
N
N
HN
P
O
OH
HO
|
IC50 |
= |
1.4 |
nM |
395.44 |
CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL441826 |
OBDepict
H
3
C
O
Br
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
1.5 |
nM |
494.41 |
CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL119413 |
OBDepict
H
3
C
O
Cl
N
H
P
O
OH
OH
|
IC50 |
= |
1.7 |
nM |
391.88 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL323617 |
OBDepict
CH
3
O
N
N
N
H
P
O
OH
OH
|
IC50 |
= |
1.8 |
nM |
395.44 |
CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL432067 |
OBDepict
H
3
C
NH
2
O
P
O
OH
HO
|
IC50 |
= |
1.8 |
nM |
357.43 |
CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL331054 |
OBDepict
H
3
C
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
1.8 |
nM |
371.46 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL118815 |
OBDepict
CH
3
O
Br
O
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
1.9 |
nM |
508.43 |
CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL119873 |
OBDepict
H
3
C
O
F
N
H
P
O
OH
OH
|
IC50 |
= |
2.0 |
nM |
375.42 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL116981 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
2.6 |
nM |
389.48 |
CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL119354 |
OBDepict
H
3
C
O
Br
N
H
P
O
OH
OH
|
IC50 |
= |
2.9 |
nM |
436.33 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL3401386 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
F
HN
O
CH
3
|
IC50 |
= |
3.0 |
nM |
563.67 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL332667 |
OBDepict
H
3
C
O
Br
Br
N
H
P
O
OH
OH
|
IC50 |
= |
3.0 |
nM |
515.22 |
CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL3401383 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
F
O
NH
2
|
IC50 |
= |
3.7 |
nM |
549.64 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL117910 |
OBDepict
CH
3
O
Br
O
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
3.9 |
nM |
480.38 |
CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807598 |
cell-based format |
CHEMBL115970 |
OBDepict
H
3
C
O
N
H
P
O
OH
OH
|
IC50 |
= |
4.0 |
nM |
369.44 |
CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL3401382 |
OBDepict
CH
3
H
3
C
OH
N
N
H
O
O
O
F
S
O
O
H
2
N
|
IC50 |
= |
4.1 |
nM |
585.7 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL115554 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
4.5 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL119256 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
5.5 |
nM |
341.43 |
CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL118783 |
OBDepict
CH
3
O
Br
O
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
6.1 |
nM |
452.33 |
CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL325247 |
OBDepict
H
3
C
O
Br
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
6.2 |
nM |
438.3 |
CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL332373 |
OBDepict
H
3
C
O
N
H
P
O
OH
OH
|
IC50 |
= |
6.3 |
nM |
357.43 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL117715 |
OBDepict
H
3
C
O
Cl
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
8.0 |
nM |
421.9 |
CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL3401387 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
F
N
O
H
3
C
CH
3
|
IC50 |
= |
8.8 |
nM |
577.7 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL113344 |
OBDepict
CH
3
H
2
N
P
HO
O
OH
HO
|
IC50 |
= |
9.8 |
nM |
371.46 |
CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL117723 |
OBDepict
H
3
C
O
Br
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
10.0 |
nM |
466.35 |
CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL1368758 |
OBDepict
O
HN
N
H
N
H
N
Cl
N
Cl
N
H
3
C
CH
3
CH
3
N
CH
3
|
IC50 |
= |
10.0 |
nM |
408.29 |
Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12 |
Homo sapiens |
CHEMBL3405599 |
single protein format |
CHEMBL324820 |
OBDepict
H
3
C
O
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
12.0 |
nM |
401.48 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL3401384 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
F
O
NH
2
|
IC50 |
= |
13.0 |
nM |
549.64 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL119562 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
19.0 |
nM |
307.42 |
CCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL432813 |
OBDepict
H
3
C
O
H
3
C
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
19.0 |
nM |
401.48 |
CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL118508 |
OBDepict
H
3
C
O
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
24.0 |
nM |
387.46 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL114976 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
27.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL4204756 |
OBDepict
O
HN
N
H
N
H
N
Cl
N
O
N
CH
3
H
3
C
H
3
C
CH
3
CH
3
N
CH
3
|
IC50 |
= |
29.1 |
nM |
431.93 |
Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)cc(C(C)C)c12 |
Homo sapiens |
CHEMBL4184624 |
cell-based format |
CHEMBL4462730 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
F
O
NH
|
IC50 |
= |
29.9 |
nM |
575.68 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCNC4=O)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL115713 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
33.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL4539520 |
OBDepict
CH
3
H
3
C
OH
N
HN
O
O
S
F
S
O
O
CH
3
|
IC50 |
= |
38.5 |
nM |
572.72 |
CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL119239 |
OBDepict
H
3
C
O
OH
N
H
P
O
OH
OH
|
IC50 |
= |
41.0 |
nM |
373.43 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL119233 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
42.0 |
nM |
355.46 |
CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL3401381 |
OBDepict
CH
3
H
3
C
OH
N
N
H
O
O
O
F
S
O
O
H
3
C
|
IC50 |
= |
45.0 |
nM |
584.71 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL325193 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
45.0 |
nM |
355.46 |
CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL3401388 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
N
F
|
IC50 |
= |
45.0 |
nM |
507.61 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL3401385 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
O
NH
2
F
|
IC50 |
= |
49.0 |
nM |
549.64 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL4212397 |
OBDepict
O
N
H
N
H
N
H
N
Cl
N
O
N
CH
3
H
3
C
CH
3
N
H
3
C
|
IC50 |
= |
56.5 |
nM |
443.94 |
Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OCC4CC4)c3)cc(C(C)C)c12 |
Homo sapiens |
CHEMBL4184624 |
cell-based format |
CHEMBL424254 |
OBDepict
CH
3
N
H
F
O
HO
|
IC50 |
= |
57.0 |
nM |
337.48 |
CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL432809 |
OBDepict
CH
3
N
H
P
O
HO
CH
3
|
IC50 |
= |
60.0 |
nM |
353.49 |
CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL116140 |
OBDepict
CH
3
N
H
HO
O
HO
|
IC50 |
= |
66.0 |
nM |
335.49 |
CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL4565410 |
OBDepict
F
NH
O
O
O
NH
N
O
F
OH
CH
3
H
3
C
|
IC50 |
= |
66.7 |
nM |
595.69 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL115714 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
73.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL4446353 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
F
O
N
CH
3
|
IC50 |
= |
73.3 |
nM |
589.71 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCN(C)C4=O)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL421234 |
OBDepict
CH
3
NH
2
P
O
OH
OH
|
IC50 |
= |
86.0 |
nM |
307.42 |
CCCCCCCCCCCCC(N)CCP(=O)(O)O |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL119760 |
OBDepict
H
3
C
H
2
N
P
O
OH
OH
|
IC50 |
= |
86.0 |
nM |
321.44 |
CCCCCCCCCCCCCC(N)CCP(=O)(O)O |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL118068 |
OBDepict
H
3
C
NH
HO
O
OH
|
IC50 |
= |
99.0 |
nM |
335.49 |
CCCCCCCCCc1ccc(CNCCC(O)C(=O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL325198 |
OBDepict
H
3
C
NH
2
P
O
OH
HO
|
IC50 |
= |
100.0 |
nM |
355.46 |
CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL117031 |
OBDepict
H
2
N
P
O
OH
OH
|
IC50 |
= |
110.0 |
nM |
355.46 |
NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL117007 |
OBDepict
H
3
C
OH
N
H
P
O
OH
OH
|
IC50 |
= |
110.0 |
nM |
371.46 |
CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL1160958 |
OBDepict
CH
3
N
H
P
OH
HO
|
IC50 |
= |
140.0 |
nM |
339.46 |
CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL118265 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
150.0 |
nM |
321.44 |
CCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL806172 |
cell-based format |
CHEMBL4459775 |
OBDepict
CH
3
O
O
O
HN
N
O
F
HO
H
3
C
CH
3
|
IC50 |
= |
188.5 |
nM |
536.64 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(OC)cc3)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL4852127 |
OBDepict
O
NH
NH
N
H
N
Cl
N
Cl
CH
3
N
H
3
C
N
H
3
C
|
IC50 |
= |
190.0 |
nM |
406.28 |
Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C |
Homo sapiens |
CHEMBL4836068 |
cell membrane format |
CHEMBL4542538 |
OBDepict
F
NH
O
O
NH
O
N
O
F
OH
H
3
C
H
3
C
|
IC50 |
= |
194.5 |
nM |
567.63 |
CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL432632 |
OBDepict
CH
3
N
H
O
HO
|
IC50 |
= |
200.0 |
nM |
319.49 |
CCCCCCCCCc1ccc(CNCCCC(=O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL119516 |
OBDepict
H
3
C
NH
F
F
O
OH
|
IC50 |
= |
200.0 |
nM |
355.47 |
CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL114584 |
OBDepict
H
3
C
NH
2
OH
P
O
OH
HO
|
IC50 |
= |
230.0 |
nM |
385.49 |
CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL112655 |
OBDepict
CH
3
H
2
N
HO
P
O
OH
HO
|
IC50 |
= |
240.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |
CHEMBL187692 |
OBDepict
CH
3
N
H
P
O
HO
CH
3
|
IC50 |
= |
250.0 |
nM |
373.56 |
CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 |
Homo sapiens |
CHEMBL833010 |
cell-based format |
CHEMBL4592049 |
OBDepict
H
3
C
CH
3
OH
N
HN
O
O
F
F
F
S
O
O
H
3
C
|
IC50 |
= |
270.3 |
nM |
542.62 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL4466980 |
OBDepict
H
3
C
CH
3
OH
N
HN
O
O
F
F
F
NH
O
CH
3
|
IC50 |
= |
278.5 |
nM |
521.58 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)NC)cc3)cc(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL4533520 |
OBDepict
H
3
C
CH
3
OH
N
N
H
O
O
F
F
F
S
O
O
CH
3
|
IC50 |
= |
296.5 |
nM |
514.57 |
CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL4860509 |
OBDepict
H
3
C
O
O
N
H
3
C
NH
N
H
N
H
O
Cl
N
Cl
|
IC50 |
= |
300.0 |
nM |
384.22 |
CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 |
Homo sapiens |
CHEMBL4836068 |
cell membrane format |
CHEMBL187588 |
OBDepict
H
3
C
H
HN
H
P
O
HO
OH
|
IC50 |
= |
330.0 |
nM |
375.53 |
CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 |
Homo sapiens |
CHEMBL833010 |
cell-based format |
CHEMBL4446396 |
OBDepict
H
3
C
N
H
O
O
HN
F
F
F
N
O
OH
CH
3
H
3
C
|
IC50 |
= |
359.3 |
nM |
493.53 |
CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL4437497 |
OBDepict
CH
3
H
3
C
HO
N
NH
O
O
F
F
F
F
|
IC50 |
= |
362.3 |
nM |
482.52 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4387011 |
cell-based format |
CHEMBL3401390 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
N
F
|
IC50 |
= |
390.0 |
nM |
507.61 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL3618201 |
OBDepict
F
O
O
N
H
N
O
O
OH
OH
F
|
IC50 |
= |
430.0 |
nM |
560.55 |
O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 |
Homo sapiens |
CHEMBL3619045 |
cell-based format |
CHEMBL334144 |
OBDepict
H
3
C
H
2
N
P
O
OH
OH
|
IC50 |
= |
450.0 |
nM |
349.5 |
CCCCCCCCCCCCCCCC(N)CCP(=O)(O)O |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL3759434 |
OBDepict
F
O
O
HN
N
O
OH
CH
3
H
3
C
O
OH
H
3
C
CH
3
|
IC50 |
= |
500.0 |
nM |
550.63 |
CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 |
Homo sapiens |
CHEMBL3762869 |
cell-based format |
CHEMBL3401376 |
OBDepict
CH
3
H
3
C
OH
N
N
H
O
CH
3
O
F
|
IC50 |
= |
500.0 |
nM |
428.55 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL119349 |
OBDepict
OH
P
O
OH
N
H
|
IC50 |
= |
530.0 |
nM |
355.46 |
O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 |
Homo sapiens |
CHEMBL806172 |
cell-based format |
CHEMBL334213 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
580.0 |
nM |
335.47 |
CCCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL806172 |
cell-based format |
CHEMBL119257 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
590.0 |
nM |
369.49 |
CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL117403 |
OBDepict
H
3
C
O
O
N
H
P
O
OH
OH
|
IC50 |
= |
680.0 |
nM |
371.41 |
CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807597 |
cell-based format |
CHEMBL117973 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
740.0 |
nM |
349.5 |
CCCCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL806172 |
cell-based format |
CHEMBL115738 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
740.0 |
nM |
363.52 |
CCCCCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL806172 |
cell-based format |
CHEMBL184879 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
750.0 |
nM |
381.5 |
CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 |
Homo sapiens |
CHEMBL833010 |
cell-based format |
CHEMBL118860 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
750.0 |
nM |
355.46 |
CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806172 |
cell-based format |
CHEMBL119110 |
OBDepict
CH
3
NH
2
P
O
OH
OH
|
IC50 |
= |
830.0 |
nM |
335.47 |
CCCCCCCCCCCCCCC(N)CCP(=O)(O)O |
Homo sapiens |
CHEMBL807596 |
cell-based format |
CHEMBL333335 |
OBDepict
CH
3
O
N
H
P
O
OH
OH
|
IC50 |
= |
840.0 |
nM |
371.46 |
CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806173 |
cell-based format |
CHEMBL3401377 |
OBDepict
CH
3
H
3
C
OH
N
N
H
O
Cl
O
F
|
IC50 |
= |
860.0 |
nM |
448.97 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL3401389 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
N
F
|
IC50 |
= |
940.0 |
nM |
507.61 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL3401379 |
OBDepict
H
3
C
H
3
C
HO
N
NH
O
O
O
F
F
|
IC50 |
= |
980.0 |
nM |
524.61 |
CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3405604 |
cell-based format |
CHEMBL325050 |
OBDepict
CH
3
NH
2
O
OH
|
IC50 |
= |
1000.0 |
nM |
319.49 |
CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 |
Homo sapiens |
CHEMBL807599 |
cell-based format |