molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1926835 |
|
Ki |
= |
40.0 |
nM |
413.52 |
CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)sc3=O)c(F)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL2252322 |
OBDepict
H
3
C
O
Cl
N
F
O
|
Ki |
= |
95.0 |
nM |
323.8 |
CCCOc1cc(N2CC3=C(CCCC3)C2=O)c(F)cc1Cl |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL2252323 |
OBDepict
H
2
C
O
Cl
N
F
O
|
Ki |
= |
120.0 |
nM |
321.78 |
C=CCOc1cc(N2CC3=C(CCCC3)C2=O)c(F)cc1Cl |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL1926845 |
OBDepict
H
3
C
O
S
O
S
N
Cl
N
N
O
S
CH
3
CH
3
H
3
C
|
Ki |
= |
200.0 |
nM |
429.98 |
CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)sc3=O)c(Cl)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL2252320 |
OBDepict
CH
3
O
Cl
N
F
O
|
Ki |
= |
200.0 |
nM |
309.77 |
CCOc1cc(N2CC3=C(CCCC3)C2=O)c(F)cc1Cl |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL1926967 |
OBDepict
H
3
C
O
O
S
S
N
Cl
N
N
O
O
CH
3
CH
3
H
3
C
|
Ki |
= |
250.0 |
nM |
441.96 |
CCOC(=O)CCSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Cl)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL2252321 |
OBDepict
H
3
C
O
Cl
N
Cl
O
|
Ki |
= |
300.0 |
nM |
340.25 |
CCCOc1cc(N2CC3=C(CCCC3)C2=O)c(Cl)cc1Cl |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL1926960 |
OBDepict
H
3
C
O
O
S
S
N
F
N
N
O
O
CH
3
CH
3
H
3
C
|
Ki |
= |
320.0 |
nM |
425.51 |
CCOC(=O)CCSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL1926963 |
OBDepict
H
3
C
O
S
O
S
N
Cl
N
N
O
O
CH
3
CH
3
H
3
C
|
Ki |
= |
330.0 |
nM |
413.91 |
CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Cl)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL1926837 |
OBDepict
H
3
C
O
O
S
S
N
F
N
N
O
S
H
3
C
H
3
C
CH
3
|
Ki |
= |
340.0 |
nM |
427.55 |
CCOC(=O)CSc1nc2cc(-n3nc(C(C)(C)C)sc3=O)c(F)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL1926961 |
OBDepict
H
3
C
O
O
S
S
N
F
N
N
O
O
H
3
C
H
3
C
CH
3
|
Ki |
= |
360.0 |
nM |
439.53 |
CCOC(=O)CCCSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL2252326 |
OBDepict
Cl
O
Cl
N
F
OH
O
|
Ki |
= |
530.0 |
nM |
422.28 |
O=C1C2=C(CCCC2)C(O)N1c1cc(OCc2cccc(Cl)c2)c(Cl)cc1F |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL2252319 |
OBDepict
CH
3
O
Cl
N
Cl
O
|
Ki |
= |
670.0 |
nM |
326.22 |
CCOc1cc(N2CC3=C(CCCC3)C2=O)c(Cl)cc1Cl |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL2252347 |
OBDepict
CH
3
O
CH
3
Cl
N
F
O
|
Ki |
= |
690.0 |
nM |
323.8 |
CC(C)Oc1cc(N2CC3=C(CCCC3)C2=O)c(F)cc1Cl |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL1926863 |
OBDepict
H
3
C
O
O
S
S
N
F
N
N
O
O
CH
3
CH
3
H
3
C
|
Ki |
= |
700.0 |
nM |
425.51 |
CCCOC(=O)CSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL1884669 |
OBDepict
Cl
N
Cl
N
N
H
O
N
S
CH
3
O
O
CH
3
F
F
|
Ki |
= |
720.0 |
nM |
387.2 |
Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F |
Homo sapiens |
CHEMBL3049525 |
assay format |
CHEMBL1926857 |
OBDepict
H
3
C
O
S
O
S
N
F
N
N
O
O
CH
3
CH
3
H
3
C
|
Ki |
= |
720.0 |
nM |
397.45 |
CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 |
Homo sapiens |
CHEMBL1929737 |
single protein format |
CHEMBL2230219 |
OBDepict
H
3
C
O
S
O
S
N
F
N
N
O
O
H
3
C
H
3
C
CH
3
|
Ki |
= |
720.0 |
nM |
383.43 |
COC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 |
Homo sapiens |
CHEMBL3049525 |
assay format |
CHEMBL2252325 |
OBDepict
F
O
Cl
N
F
OH
O
|
Ki |
= |
780.0 |
nM |
405.83 |
O=C1C2=C(CCCC2)C(O)N1c1cc(OCc2cccc(F)c2)c(Cl)cc1F |
Homo sapiens |
CHEMBL3066844 |
single protein format |
CHEMBL2230215 |
OBDepict
O
O
S
H
3
C
H
3
C
CH
3
S
N
Cl
N
N
O
O
CH
3
CH
3
H
3
C
|
Ki |
= |
840.0 |
nM |
455.99 |
CC(C)(C)OC(=O)CSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Cl)cc2s1 |
Homo sapiens |
CHEMBL3049525 |
assay format |
CHEMBL2230211 |
OBDepict
H
3
C
O
O
S
S
N
Cl
N
N
O
O
CH
3
CH
3
H
3
C
|
Ki |
= |
980.0 |
nM |
441.96 |
CCCOC(=O)CSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Cl)cc2s1 |
Homo sapiens |
CHEMBL3049525 |
assay format |