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BDBM252013 US9458110, 84

SMILES: C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1

InChI Key: InChIKey=CRFSDZNCOBDRQG-YQTOOIBONA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 252013   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM252013
PNG
(US9458110, 84)
Show SMILES C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1
Show InChI InChI=1/C19H19N3O/c1-13-10-16(8-9-18(13)17-11-20-21-12-17)19(23)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21)(H,22,23)/t14-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.51n/an/an/an/a7.5n/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9458110 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F2W
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM252013
PNG
(US9458110, 84)
Show SMILES C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1
Show InChI InChI=1/C19H19N3O/c1-13-10-16(8-9-18(13)17-11-20-21-12-17)19(23)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21)(H,22,23)/t14-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.5n/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9458110 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F2W
More data for this
Ligand-Target Pair