molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL474689 |
|
IC50 |
= |
1.1 |
nM |
425.47 |
CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 |
Homo sapiens |
CHEMBL1029037 |
single protein format |
CHEMBL470511 |
OBDepict
CH
3
NH
2
N
N
O
H
P
O
OH
HO
O
|
IC50 |
= |
1.23 |
nM |
459.48 |
C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL432067 |
OBDepict
H
3
C
NH
2
O
P
O
OH
HO
|
IC50 |
= |
1.7 |
nM |
357.43 |
CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL474688 |
OBDepict
H
3
C
O
F
N
H
O
H
2
N
CH
3
O
P
O
OH
OH
|
IC50 |
= |
1.8 |
nM |
420.42 |
CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 |
Homo sapiens |
CHEMBL1029037 |
single protein format |
CHEMBL473269 |
OBDepict
CH
3
O
F
N
N
H
H
2
N
H
3
C
O
P
O
OH
HO
|
IC50 |
= |
1.9 |
nM |
443.46 |
CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F |
Homo sapiens |
CHEMBL1029037 |
single protein format |
CHEMBL1093429 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
F
F
F
|
IC50 |
= |
3.4 |
nM |
538.46 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL1108114 |
cell-based format |
CHEMBL515921 |
OBDepict
CH
3
O
F
N
H
O
NH
2
CH
3
O
P
O
HO
OH
|
IC50 |
= |
3.5 |
nM |
420.42 |
CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F |
Homo sapiens |
CHEMBL1029037 |
single protein format |
CHEMBL473156 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
3.6 |
nM |
436.45 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL475495 |
OBDepict
CH
3
O
N
H
O
NH
2
CH
3
O
P
O
HO
OH
|
IC50 |
= |
4.0 |
nM |
402.43 |
CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL1029037 |
single protein format |
CHEMBL475405 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
4.17 |
nM |
470.46 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL1093823 |
OBDepict
H
N
N
H
2
N
H
3
C
O
P
O
OH
HO
O
F
F
F
|
IC50 |
= |
4.4 |
nM |
547.47 |
C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 |
Homo sapiens |
CHEMBL1108114 |
cell-based format |
CHEMBL514170 |
OBDepict
H
N
N
H
2
N
H
3
C
O
P
O
OH
HO
O
|
IC50 |
= |
4.9 |
nM |
479.47 |
C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL473238 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
5.24 |
nM |
484.49 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL473563 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
6.15 |
nM |
456.44 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL1090829 |
OBDepict
H
N
N
H
2
N
H
3
C
O
P
O
OH
HO
O
F
F
F
|
IC50 |
= |
6.5 |
nM |
561.5 |
C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 |
Homo sapiens |
CHEMBL1108114 |
cell-based format |
CHEMBL473562 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
8.3 |
nM |
428.47 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL184879 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
8.4 |
nM |
381.5 |
CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL514302 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
10.3 |
nM |
422.42 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL515917 |
OBDepict
CH
3
NH
2
N
N
O
H
P
O
OH
HO
O
|
IC50 |
= |
11.7 |
nM |
445.46 |
C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL1090796 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
13.1 |
nM |
482.47 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL1108114 |
cell-based format |
CHEMBL114606 |
OBDepict
H
3
C
NH
2
O
OH
P
O
OH
HO
|
IC50 |
= |
15.0 |
nM |
387.46 |
CCCCCCCCc1ccc(CCC(N)(CO)COP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL117130 |
OBDepict
H
3
C
O
H
2
N
P
OH
O
OH
OH
|
IC50 |
= |
15.0 |
nM |
373.43 |
CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL1161691 |
OBDepict
CH
3
NH
2
O
OH
P
HO
HO
OH
H
|
IC50 |
= |
15.0 |
nM |
389.47 |
CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL115554 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
16.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL225155 |
OBDepict
H
3
C
OH
H
NH
2
H
O
P
O
OH
OH
|
IC50 |
= |
23.0 |
nM |
379.48 |
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL113344 |
OBDepict
CH
3
H
2
N
P
HO
O
OH
HO
|
IC50 |
= |
23.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL325193 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
24.0 |
nM |
355.46 |
CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL475253 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
24.8 |
nM |
498.52 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL474418 |
OBDepict
H
N
N
H
2
N
H
3
C
O
P
O
OH
HO
O
|
IC50 |
= |
26.9 |
nM |
493.5 |
C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL4093489 |
OBDepict
CH
3
O
H
3
C
O
CH
3
N
O
HO
|
Ki |
= |
28.8 |
nM |
435.56 |
CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 |
Homo sapiens |
CHEMBL4032319 |
cell-based format |
CHEMBL181597 |
OBDepict
H
3
C
N
H
H
H
P
O
OH
OH
|
IC50 |
= |
32.0 |
nM |
395.52 |
CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL117910 |
OBDepict
CH
3
O
Br
O
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
33.0 |
nM |
480.38 |
CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807595 |
cell-based format |
CHEMBL196534 |
OBDepict
OH
O
N
N
N
O
|
IC50 |
= |
40.0 |
nM |
417.51 |
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL118860 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
40.0 |
nM |
355.46 |
CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL198976 |
OBDepict
OH
O
N
N
N
O
|
IC50 |
= |
49.0 |
nM |
403.48 |
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL198415 |
OBDepict
OH
O
N
N
N
O
H
F
F
|
IC50 |
= |
68.0 |
nM |
439.46 |
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL193789 |
OBDepict
CH
3
O
N
N
N
O
HO
|
IC50 |
= |
70.0 |
nM |
391.47 |
CCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL194419 |
OBDepict
CH
3
H
3
C
O
N
N
N
O
HO
|
IC50 |
= |
70.0 |
nM |
391.47 |
CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL372066 |
OBDepict
CH
3
H
3
C
H
3
C
O
N
N
N
O
HO
|
IC50 |
= |
75.0 |
nM |
405.5 |
CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL119110 |
OBDepict
CH
3
NH
2
P
O
OH
OH
|
IC50 |
= |
76.0 |
nM |
335.47 |
CCCCCCCCCCCCCCC(N)CCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL117723 |
OBDepict
H
3
C
O
Br
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
80.0 |
nM |
466.35 |
CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL913922 |
cell-based format |
CHEMBL184349 |
OBDepict
CH
3
N
P
O
OH
HO
|
IC50 |
= |
86.0 |
nM |
367.47 |
CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL195014 |
OBDepict
OH
O
N
N
N
O
H
F
F
|
IC50 |
= |
89.0 |
nM |
439.46 |
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL366181 |
OBDepict
OH
O
N
N
N
O
CH
3
CH
3
CH
3
|
IC50 |
= |
90.0 |
nM |
405.5 |
CC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL117031 |
OBDepict
H
2
N
P
O
OH
OH
|
IC50 |
= |
94.0 |
nM |
355.46 |
NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL377828 |
OBDepict
HO
O
H
N
H
H
N
N
O
|
IC50 |
= |
110.0 |
nM |
431.54 |
O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL208648 |
OBDepict
HO
O
H
N
H
H
N
N
O
F
F
|
IC50 |
= |
110.0 |
nM |
467.52 |
O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCC(F)(F)CC5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL224853 |
OBDepict
OH
O
N
CH
3
CH
3
O
S
F
F
F
|
IC50 |
= |
120.0 |
nM |
475.53 |
Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 |
Homo sapiens |
CHEMBL913922 |
cell-based format |
CHEMBL211006 |
OBDepict
HO
O
H
N
H
H
N
N
O
|
IC50 |
= |
120.0 |
nM |
417.51 |
O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL187588 |
OBDepict
H
3
C
H
HN
H
P
O
HO
OH
|
IC50 |
= |
120.0 |
nM |
375.53 |
CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL515603 |
OBDepict
O
N
H
NH
2
H
3
C
O
P
O
OH
OH
O
|
IC50 |
= |
123.0 |
nM |
442.41 |
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL980650 |
single protein format |
CHEMBL334213 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
140.0 |
nM |
335.47 |
CCCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL112655 |
OBDepict
CH
3
H
2
N
HO
P
O
OH
HO
|
IC50 |
= |
140.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL119760 |
OBDepict
H
3
C
H
2
N
P
O
OH
OH
|
IC50 |
= |
140.0 |
nM |
321.44 |
CCCCCCCCCCCCCC(N)CCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL119349 |
OBDepict
OH
P
O
OH
N
H
|
IC50 |
= |
140.0 |
nM |
355.46 |
O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL378300 |
OBDepict
CH
3
CH
3
O
N
N
H
NH
H
O
HO
|
IC50 |
= |
150.0 |
nM |
405.5 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@H](CC(=O)O)CN4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL363008 |
OBDepict
CH
3
N
P
HO
O
OH
HO
|
IC50 |
= |
150.0 |
nM |
377.51 |
CCCCCCCCCCCCCCN1CCC(C(O)P(=O)(O)O)C1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL194578 |
OBDepict
CH
3
O
N
N
N
O
HO
|
IC50 |
= |
150.0 |
nM |
377.44 |
CCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL378061 |
OBDepict
CH
3
CH
3
O
N
N
H
NH
H
O
HO
|
IC50 |
= |
160.0 |
nM |
405.5 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@@H](CC(=O)O)CN4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL118265 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
200.0 |
nM |
321.44 |
CCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL114584 |
OBDepict
H
3
C
NH
2
OH
P
O
OH
HO
|
IC50 |
= |
210.0 |
nM |
385.49 |
CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL117973 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
230.0 |
nM |
349.5 |
CCCCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL425602 |
OBDepict
HO
O
H
N
H
H
N
N
O
F
F
F
|
IC50 |
= |
230.0 |
nM |
445.44 |
O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL325198 |
OBDepict
H
3
C
NH
2
P
O
OH
HO
|
IC50 |
= |
240.0 |
nM |
355.46 |
CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL195025 |
OBDepict
OH
O
N
N
N
O
|
IC50 |
= |
240.0 |
nM |
411.46 |
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL115713 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
280.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL427221 |
OBDepict
CH
3
CH
3
O
N
N
H
NH
H
O
HO
|
IC50 |
= |
300.0 |
nM |
391.47 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL187692 |
OBDepict
CH
3
N
H
P
O
HO
CH
3
|
IC50 |
= |
310.0 |
nM |
373.56 |
CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL224549 |
OBDepict
OH
O
N
O
F
F
F
S
F
F
F
|
IC50 |
= |
340.0 |
nM |
515.48 |
O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 |
Homo sapiens |
CHEMBL913922 |
cell-based format |
CHEMBL210520 |
OBDepict
HO
O
H
N
H
H
N
N
O
|
IC50 |
= |
350.0 |
nM |
431.54 |
O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)N1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL196357 |
OBDepict
CH
3
O
H
3
C
O
N
N
N
O
HO
|
IC50 |
= |
370.0 |
nM |
393.44 |
CC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL195141 |
OBDepict
OH
O
N
N
N
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
370.0 |
nM |
391.47 |
CC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL377855 |
OBDepict
OH
O
N
H
O
S
F
F
F
|
IC50 |
= |
390.0 |
nM |
461.51 |
O=C(O)CC1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL381872 |
OBDepict
OH
O
N
N
N
O
F
F
F
|
IC50 |
= |
430.0 |
nM |
431.41 |
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL114976 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
500.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL194898 |
OBDepict
OH
O
N
N
N
O
|
IC50 |
= |
520.0 |
nM |
389.46 |
O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCC5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL377637 |
OBDepict
CH
3
CH
3
O
N
N
H
NH
H
O
HO
|
IC50 |
= |
540.0 |
nM |
419.53 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL209076 |
OBDepict
HO
O
H
N
H
H
N
N
O
H
F
F
|
IC50 |
= |
570.0 |
nM |
453.49 |
O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL432809 |
OBDepict
CH
3
N
H
P
O
HO
CH
3
|
IC50 |
= |
590.0 |
nM |
353.49 |
CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL424254 |
OBDepict
CH
3
N
H
F
O
HO
|
IC50 |
= |
600.0 |
nM |
337.48 |
CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL210468 |
OBDepict
CH
3
CH
3
O
N
N
H
NH
H
O
HO
|
IC50 |
= |
630.0 |
nM |
419.53 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL364899 |
OBDepict
OH
O
N
O
N
N
CH
3
CH
3
CH
3
|
IC50 |
= |
640.0 |
nM |
391.47 |
CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 |
Homo sapiens |
CHEMBL880432 |
cell-based format |
CHEMBL426191 |
OBDepict
OH
O
N
Cl
Cl
O
S
F
F
F
|
IC50 |
= |
640.0 |
nM |
516.37 |
O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 |
Homo sapiens |
CHEMBL913922 |
cell-based format |
CHEMBL119562 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
650.0 |
nM |
307.42 |
CCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL210785 |
OBDepict
H
3
C
CH
3
O
N
N
H
HN
H
O
OH
|
IC50 |
= |
700.0 |
nM |
405.5 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL210257 |
OBDepict
HO
O
H
N
H
H
N
N
O
H
F
F
|
IC50 |
= |
720.0 |
nM |
453.49 |
O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL186921 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
760.0 |
nM |
375.53 |
CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL224799 |
OBDepict
HO
O
N
O
S
F
F
F
|
IC50 |
= |
790.0 |
nM |
461.51 |
O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 |
Homo sapiens |
CHEMBL913922 |
cell-based format |
CHEMBL208838 |
OBDepict
HO
O
H
N
H
H
N
N
O
H
F
F
|
IC50 |
= |
800.0 |
nM |
453.49 |
O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 |
Homo sapiens |
CHEMBL864691 |
cell-based format |
CHEMBL115738 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
800.0 |
nM |
363.52 |
CCCCCCCCCCCCCCCCNCCCP(=O)(O)O |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL119233 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
840.0 |
nM |
355.46 |
CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL185447 |
OBDepict
H
3
C
N
P
O
OH
OH
|
IC50 |
= |
870.0 |
nM |
375.53 |
CCCCCCCCCCCCCCN1CCCC1CCP(=O)(O)O |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL115714 |
OBDepict
CH
3
H
2
N
H
P
HO
H
O
OH
HO
|
IC50 |
= |
880.0 |
nM |
371.46 |
CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL806184 |
cell-based format |
CHEMBL1160958 |
OBDepict
CH
3
N
H
P
OH
HO
|
IC50 |
= |
900.0 |
nM |
339.46 |
CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 |
Homo sapiens |
CHEMBL873237 |
cell-based format |
CHEMBL184237 |
OBDepict
H
3
C
N
OH
P
O
OH
OH
|
IC50 |
= |
920.0 |
nM |
363.48 |
CCCCCCCCCCCCCCN1CCC(O)(P(=O)(O)O)C1 |
Homo sapiens |
CHEMBL833012 |
cell-based format |
CHEMBL210352 |
OBDepict
H
3
C
CH
3
O
N
N
H
HN
H
O
OH
|
IC50 |
= |
1000.0 |
nM |
405.5 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |
CHEMBL207580 |
OBDepict
CH
3
CH
3
O
N
N
H
NH
H
O
HO
|
IC50 |
= |
1000.0 |
nM |
391.47 |
CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 |
Homo sapiens |
CHEMBL871182 |
cell-based format |