molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1809213 |
|
Ki |
= |
13.0 |
nM |
570.72 |
N=C(N)NCCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809250 |
OBDepict
CH
3
N
H
O
HN
H
S
O
O
HN
HN
NH
2
HN
NH
2
|
Ki |
= |
14.0 |
nM |
501.66 |
CCC(NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809251 |
OBDepict
CH
3
N
H
H
O
HN
H
S
O
O
HN
HN
NH
2
HN
NH
2
|
Ki |
= |
15.0 |
nM |
515.68 |
CCC[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1229259 |
OBDepict
H
2
N
N
H
NH
NH
H
N
O
S
O
O
H
HN
O
NH
H
2
N
|
Ki |
= |
19.0 |
nM |
556.69 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809252 |
OBDepict
NH
2
NH
HN
HN
H
O
S
N
H
H
O
O
CH
3
H
3
C
HN
H
2
N
|
Ki |
= |
22.0 |
nM |
515.68 |
CC(C)[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809253 |
OBDepict
CH
3
CH
3
H
HN
H
O
N
H
H
S
O
O
HN
NH
NH
2
NH
NH
2
|
Ki |
= |
23.0 |
nM |
529.71 |
CC[C@H](C)[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809254 |
OBDepict
NH
2
NH
HN
HN
H
O
S
N
H
H
3
C
H
O
O
NH
H
2
N
|
Ki |
= |
30.0 |
nM |
487.63 |
C[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809256 |
OBDepict
OH
N
H
H
O
N
H
H
S
O
O
HN
NH
NH
2
HN
H
2
N
|
Ki |
= |
34.0 |
nM |
503.63 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809214 |
OBDepict
O
O
CH
3
CH
3
H
3
C
NH
H
N
O
S
O
O
H
HN
O
NH
H
2
N
|
Ki |
= |
36.0 |
nM |
585.73 |
CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809215 |
OBDepict
O
O
N
H
H
CH
3
CH
3
H
3
C
N
O
S
O
O
H
HN
O
HN
H
2
N
|
Ki |
= |
38.0 |
nM |
571.7 |
CC(C)(C)OC(=O)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809216 |
OBDepict
H
2
N
HN
H
N
O
S
O
O
H
N
H
O
NH
NH
2
|
Ki |
= |
40.0 |
nM |
528.68 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809257 |
OBDepict
CH
3
CH
3
N
H
H
O
HN
H
S
O
O
N
H
HN
NH
2
NH
H
2
N
|
Ki |
= |
47.0 |
nM |
529.71 |
CC(C)C[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809258 |
OBDepict
NH
2
N
H
NH
HN
H
O
S
NH
H
O
O
HN
H
2
N
|
Ki |
= |
57.0 |
nM |
563.73 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809218 |
OBDepict
H
2
N
HN
N
H
O
H
N
O
HN
H
S
O
O
|
Ki |
= |
63.0 |
nM |
561.71 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809241 |
OBDepict
O
N
N
H
N
H
H
N
O
S
O
O
H
HN
O
HN
NH
2
|
Ki |
= |
68.0 |
nM |
597.74 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809219 |
OBDepict
H
2
N
NH
HN
O
H
N
O
N
H
H
CH
3
CH
3
S
O
O
|
Ki |
= |
76.0 |
nM |
499.64 |
CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL252937 |
OBDepict
OH
N
H
H
N
H
O
O
HN
H
S
OH
O
O
NH
H
2
N
|
Ki |
= |
78.0 |
nM |
477.54 |
N=C(N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809220 |
OBDepict
H
2
N
HN
N
H
O
H
N
O
HN
H
S
O
O
|
Ki |
= |
98.0 |
nM |
547.68 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1229261 |
OBDepict
H
2
N
HN
N
H
O
H
N
O
HN
H
S
O
O
|
Ki |
= |
108.0 |
nM |
553.73 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809234 |
OBDepict
H
3
C
CH
3
N
H
H
N
O
S
O
O
H
NH
O
NH
NH
2
|
Ki |
= |
120.0 |
nM |
513.66 |
CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809235 |
OBDepict
H
2
N
HN
N
H
O
H
N
O
N
H
H
S
O
O
NH
H
2
N
|
Ki |
= |
168.0 |
nM |
589.72 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(C(=N)N)cc2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809246 |
OBDepict
O
N
N
H
H
O
N
O
S
O
O
H
NH
O
NH
H
2
N
|
Ki |
= |
183.0 |
nM |
584.7 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)N2CCOCC2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809247 |
OBDepict
O
N
N
H
H
HN
N
O
S
O
O
H
NH
O
NH
H
2
N
|
Ki |
= |
202.0 |
nM |
583.71 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809236 |
OBDepict
N
NH
H
N
O
S
O
O
H
N
H
O
HN
H
2
N
|
Ki |
= |
311.0 |
nM |
572.69 |
N#Cc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(=N)N)cc2)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809259 |
OBDepict
H
2
N
HN
NH
N
H
H
O
S
NH
H
O
O
O
OH
NH
NH
2
|
Ki |
= |
422.0 |
nM |
531.64 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CC(=O)O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809211 |
OBDepict
O
N
H
NH
O
N
H
H
S
O
O
HN
NH
2
NH
NH
H
2
N
|
Ki |
= |
430.0 |
nM |
516.63 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809260 |
OBDepict
NH
2
HN
NH
N
H
H
O
HN
H
S
O
O
HN
HN
NH
2
NH
H
2
N
|
Ki |
= |
457.0 |
nM |
572.74 |
N=C(N)NCCC[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |
CHEMBL1809261 |
OBDepict
H
2
N
HN
NH
N
H
H
O
S
HN
H
O
O
O
O
CH
3
CH
3
H
3
C
NH
NH
2
|
Ki |
= |
512.0 |
nM |
587.75 |
CC(C)(C)OC(=O)C[C@H](NCc1ccc(C(=N)N)cc1)C(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL1810428 |
single protein format |