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BDBM251945 US9458110, 17

SMILES: COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(F)c1

InChI Key: InChIKey=PASSAYPELLITCR-UHFFFAOYSA-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 = 251945   
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))
BDBM251945
PNG
(US9458110, 17)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C18H16FN3O2/c1-24-17-8-13(5-6-16(17)14-10-21-22-11-14)18(23)20-9-12-3-2-4-15(19)7-12/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.01n/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))
BDBM251945
PNG
(US9458110, 17)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C18H16FN3O2/c1-24-17-8-13(5-6-16(17)14-10-21-22-11-14)18(23)20-9-12-3-2-4-15(19)7-12/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.42n/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