molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL507974 |
|
IC50 |
= |
5.3 |
nM |
319.27 |
NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |
Homo sapiens |
CHEMBL4321993 |
cell-based format |
CHEMBL4276884 |
OBDepict
O
N
H
F
S
HN
O
O
N
S
Cl
O
F
F
F
|
IC50 |
= |
11.0 |
nM |
509.89 |
O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(F)c1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4293085 |
OBDepict
O
N
H
F
S
HN
O
O
N
S
N
Cl
O
F
F
F
|
IC50 |
= |
13.0 |
nM |
510.88 |
O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncns2)c(F)c1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL501134 |
OBDepict
HN
N
H
HN
H
N
H
NH
OH
HO
O
NH
O
H
2
N
|
IC50 |
= |
13.0 |
nM |
299.29 |
N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CCC(O)(O)[C@]23N1 |
Homo sapiens |
CHEMBL4321993 |
cell-based format |
CHEMBL3617053 |
OBDepict
O
N
H
S
NH
O
O
N
S
|
IC50 |
= |
17.0 |
nM |
449.56 |
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4284819 |
OBDepict
O
N
H
S
HN
O
O
N
S
Cl
O
F
F
F
|
IC50 |
= |
20.0 |
nM |
491.9 |
O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4276813 |
OBDepict
Cl
O
O
F
F
F
S
HN
O
O
N
S
N
|
IC50 |
= |
22.0 |
nM |
465.86 |
O=S(=O)(Nc1ncns1)c1ccc(OCc2ccc(OC(F)(F)F)c(Cl)c2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL2324354 |
OBDepict
Cl
S
N
HN
S
O
O
N
H
O
Cl
F
F
F
|
IC50 |
= |
30.0 |
nM |
510.35 |
O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1 |
Homo sapiens |
CHEMBL2328107 |
single protein format |
CHEMBL4278251 |
OBDepict
H
N
N
N
Cl
S
Cl
HN
O
O
N
S
|
IC50 |
= |
45.0 |
nM |
466.38 |
O=S(=O)(Nc1nccs1)c1ccc(-c2nnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4283626 |
OBDepict
H
N
N
N
S
HN
O
O
N
S
F
F
F
|
IC50 |
= |
124.0 |
nM |
465.48 |
O=S(=O)(Nc1nccs1)c1ccc(-c2nnc(Cc3ccc(C(F)(F)F)cc3)[nH]2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4290011 |
OBDepict
O
N
H
S
HN
O
O
N
S
F
F
F
|
IC50 |
= |
147.0 |
nM |
441.46 |
O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4293390 |
OBDepict
O
S
O
S
NH
O
O
N
S
F
F
F
|
IC50 |
= |
155.0 |
nM |
476.52 |
O=S(=O)(CCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4288933 |
OBDepict
O
S
N
H
O
S
NH
O
O
N
S
F
F
F
|
IC50 |
= |
160.0 |
nM |
477.51 |
O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4292031 |
OBDepict
O
N
H
S
HN
O
O
N
S
O
F
F
F
|
IC50 |
= |
197.0 |
nM |
457.46 |
O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4295123 |
OBDepict
O
N
Cl
O
O
F
F
F
S
NH
O
O
N
S
N
|
IC50 |
= |
237.0 |
nM |
548.95 |
O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC(OCc2ccc(S(=O)(=O)Nc3ncns3)cc2)C1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL2324411 |
OBDepict
Cl
O
N
H
3
C
N
F
S
HN
O
O
N
S
N
|
IC50 |
= |
292.0 |
nM |
465.92 |
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1F |
Homo sapiens |
CHEMBL4040128 |
cell-based format |
CHEMBL4290885 |
OBDepict
Cl
O
O
F
F
F
S
HN
O
O
N
S
N
|
IC50 |
= |
296.0 |
nM |
451.84 |
O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(OC(F)(F)F)c(Cl)c2)cc1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL1813048 |
OBDepict
CH
3
NH
O
CH
3
HN
N
N
N
N
O
O
F
F
F
|
IC50 |
= |
300.0 |
nM |
516.52 |
CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C |
Homo sapiens |
CHEMBL1816277 |
cell-based format |
CHEMBL4284536 |
OBDepict
O
N
H
F
S
NH
O
O
N
N
Cl
O
F
F
F
|
IC50 |
= |
374.0 |
nM |
504.85 |
O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncccn2)c(F)c1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4283701 |
OBDepict
CH
3
N
O
F
Cl
S
O
HN
O
O
N
S
N
F
F
F
|
IC50 |
= |
522.0 |
nM |
524.91 |
CN(Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)c1ccc(S(=O)(=O)Nc2ncns2)c(F)c1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL698 |
OBDepict
H
3
C
NH
O
O
N
CH
3
H
3
C
|
IC50 |
= |
740.0 |
nM |
264.37 |
CCCCNc1ccc(C(=O)OCCN(C)C)cc1 |
Homo sapiens |
CHEMBL3800778 |
cell-based format |
CHEMBL4282596 |
OBDepict
F
S
S
N
H
O
O
N
S
N
O
O
H
O
N
F
F
F
|
IC50 |
= |
851.0 |
nM |
552.55 |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1F |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4290473 |
OBDepict
F
S
S
N
H
O
O
N
S
N
O
O
H
O
Cl
Cl
|
IC50 |
= |
945.0 |
nM |
552.46 |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CC[C@H](Oc3c(Cl)cccc3Cl)C2)cc1F |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4278370 |
OBDepict
F
S
S
HN
O
O
N
S
N
O
O
O
|
IC50 |
= |
959.0 |
nM |
469.54 |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CC(Oc3ccccc3)C2)cc1F |
Homo sapiens |
CHEMBL4257698 |
cell-based format |
CHEMBL4285269 |
OBDepict
F
N
N
HN
S
O
O
F
N
H
O
Cl
O
F
F
F
|
IC50 |
= |
993.0 |
nM |
522.84 |
O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncc(F)cn2)c(F)c1 |
Homo sapiens |
CHEMBL4257698 |
cell-based format |