molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4209993 |
|
IC50 |
= |
23.0 |
nM |
374.29 |
O=C(CN(Cc1ccc(F)c(O)c1F)Cc1ccc(F)c(O)c1F)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4205925 |
OBDepict
OH
HN
O
N
F
F
OH
OH
Cl
Cl
|
IC50 |
= |
24.0 |
nM |
407.2 |
O=C(CN(Cc1ccc(Cl)c(O)c1F)Cc1ccc(Cl)c(O)c1F)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4216076 |
OBDepict
OH
HN
O
N
O
HO
O
OH
|
IC50 |
= |
49.0 |
nM |
358.35 |
O=C(CN(Cc1cccc(C(=O)O)c1)Cc1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4105563 |
OBDepict
OH
HN
O
N
S
O
O
O
HO
O
OH
|
IC50 |
= |
60.0 |
nM |
408.39 |
O=C(CN(Cc1cccc(C(=O)O)c1)S(=O)(=O)c1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4078433 |
OBDepict
OH
HN
O
N
S
O
O
O
H
3
C
O
OH
|
IC50 |
= |
60.0 |
nM |
394.41 |
COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4206683 |
OBDepict
OH
HN
O
N
O
OH
Cl
|
IC50 |
= |
76.0 |
nM |
348.79 |
O=C(CN(Cc1ccc(Cl)cc1)Cc1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4217240 |
OBDepict
OH
NH
O
N
O
HO
O
CH
3
|
IC50 |
= |
77.0 |
nM |
344.37 |
COc1ccc(CN(CC(=O)NO)Cc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4207946 |
OBDepict
OH
HN
O
N
O
OH
F
|
IC50 |
= |
177.0 |
nM |
332.33 |
O=C(CN(Cc1ccc(F)cc1)Cc1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4204835 |
OBDepict
OH
NH
O
N
O
HO
O
OH
|
IC50 |
= |
207.0 |
nM |
358.35 |
O=C(CN(Cc1ccc(C(=O)O)cc1)Cc1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4099123 |
OBDepict
OH
N
H
O
N
H
S
O
O
O
OH
|
IC50 |
= |
220.0 |
nM |
288.28 |
O=C(CCNS(=O)(=O)c1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4102689 |
OBDepict
OH
HN
O
N
S
O
O
O
O
O
OH
|
IC50 |
= |
270.0 |
nM |
408.39 |
O=C(CN(Cc1cccc(C(=O)O)c1)S(=O)(=O)c1ccc2c(c1)OCO2)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4206728 |
OBDepict
OH
NH
O
N
F
F
F
F
OH
HO
|
IC50 |
= |
272.0 |
nM |
374.29 |
O=C(CN(Cc1cc(F)c(O)c(F)c1)Cc1cc(F)c(O)c(F)c1)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4215019 |
OBDepict
OH
NH
O
N
O
O
O
OH
|
IC50 |
= |
285.0 |
nM |
358.35 |
O=C(CN(Cc1cccc(C(=O)O)c1)Cc1ccc2c(c1)OCO2)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4083600 |
OBDepict
OH
N
H
O
HN
S
O
O
O
HO
|
IC50 |
= |
310.0 |
nM |
274.25 |
O=C(CNS(=O)(=O)c1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4207739 |
OBDepict
OH
NH
O
N
O
HO
N
|
IC50 |
= |
320.0 |
nM |
339.35 |
N#Cc1ccc(CN(CC(=O)NO)Cc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4087683 |
OBDepict
OH
HN
O
N
S
O
O
O
HO
O
OH
|
IC50 |
= |
320.0 |
nM |
408.39 |
O=C(CN(Cc1cccc(C(=O)O)c1)S(=O)(=O)c1ccc(C(=O)O)cc1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4072148 |
OBDepict
OH
HN
O
NH
S
O
O
O
HO
|
IC50 |
= |
340.0 |
nM |
288.28 |
O=C(CCNS(=O)(=O)c1ccc(C(=O)O)cc1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4218599 |
OBDepict
OH
HN
O
N
F
F
O
O
OH
H
3
C
|
IC50 |
= |
347.0 |
nM |
380.35 |
COc1cc(F)c(CN(CC(=O)NO)Cc2cccc(C(=O)O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4204272 |
OBDepict
OH
NH
O
N
F
O
HO
O
CH
3
|
IC50 |
= |
375.0 |
nM |
362.36 |
COc1ccc(CN(CC(=O)NO)Cc2cccc(C(=O)O)c2)cc1F |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4210875 |
OBDepict
HO
NH
O
NH
O
OH
|
IC50 |
= |
377.0 |
nM |
224.22 |
O=C(CNCc1cccc(C(=O)O)c1)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4208444 |
OBDepict
OH
NH
O
N
O
HO
CH
3
|
IC50 |
= |
386.0 |
nM |
328.37 |
Cc1ccc(CN(CC(=O)NO)Cc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4096428 |
OBDepict
OH
N
H
O
N
H
S
O
O
Cl
Cl
OH
|
IC50 |
= |
400.0 |
nM |
329.16 |
O=C(CCNS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4101604 |
OBDepict
OH
N
H
O
HN
S
O
O
O
HO
|
IC50 |
= |
410.0 |
nM |
274.25 |
O=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4063534 |
OBDepict
OH
N
H
O
HN
S
O
O
Cl
Cl
HO
|
IC50 |
= |
430.0 |
nM |
315.13 |
O=C(CNS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4209047 |
OBDepict
OH
NH
O
N
O
OH
O
HO
|
IC50 |
= |
524.0 |
nM |
358.35 |
O=C(CN(Cc1ccc(C(=O)O)cc1)Cc1ccc(C(=O)O)cc1)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4206648 |
OBDepict
OH
HN
O
HN
H
O
HO
O
OH
|
IC50 |
= |
548.0 |
nM |
282.25 |
O=C(O)C[C@@H](NCc1cccc(C(=O)O)c1)C(=O)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4214841 |
OBDepict
OH
NH
O
N
O
O
HO
H
3
C
|
IC50 |
= |
559.0 |
nM |
344.37 |
COc1cccc(CN(CC(=O)NO)Cc2cccc(C(=O)O)c2)c1 |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4216704 |
OBDepict
HO
NH
O
N
O
OH
O
CH
3
|
IC50 |
= |
643.0 |
nM |
358.39 |
COc1ccc(CN(CCC(=O)NO)Cc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4067530 |
OBDepict
OH
HN
O
N
S
O
O
F
O
H
3
C
O
OH
|
IC50 |
= |
650.0 |
nM |
412.4 |
COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cccc(C(=O)O)c2)cc1F |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4214445 |
OBDepict
OH
HN
O
N
H
H
O
OH
O
OH
|
IC50 |
= |
654.0 |
nM |
296.28 |
O=C(O)CC[C@H](NCc1cccc(C(=O)O)c1)C(=O)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4083361 |
OBDepict
OH
HN
O
N
S
O
O
O
F
F
F
O
OH
|
IC50 |
= |
700.0 |
nM |
448.38 |
O=C(CN(Cc1cccc(C(=O)O)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)NO |
Homo sapiens |
CHEMBL4018050 |
assay format |
CHEMBL4218003 |
OBDepict
OH
N
H
O
N
O
HO
O
CH
3
|
IC50 |
= |
742.0 |
nM |
372.42 |
COc1ccc(CN(CCCC(=O)NO)Cc2cccc(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4209523 |
OBDepict
OH
HN
O
N
H
H
O
OH
O
OH
|
IC50 |
= |
768.0 |
nM |
296.28 |
O=C(O)CC[C@@H](NCc1cccc(C(=O)O)c1)C(=O)NO |
Homo sapiens |
CHEMBL4189611 |
assay format |
CHEMBL4079395 |
OBDepict
OH
HN
O
N
S
O
O
O
H
3
C
O
OH
|
IC50 |
= |
980.0 |
nM |
394.41 |
COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL4018050 |
assay format |