BDBM252166 US9458110, 238

SMILES: COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1

InChI Key: InChIKey=OVQFXLFWQAYHOI-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 = 252166   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM252166 (US9458110, 238) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H22N4O3/c1-29-20-10-16(5-8-19(20)17-12-24-25-13-17)21(27)23-11-14-3-2-4-15(9-14)22(28)26-18-6-7-18/h2-5,8-10,12-13,18H,6-7,11H2,1H3,(H,23,27)(H,24,25)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	7.5	n/a
Bristol-Myers Squibb Company 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))	BDBM252166 (US9458110, 238) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H22N4O3/c1-29-20-10-16(5-8-19(20)17-12-24-25-13-17)21(27)23-11-14-3-2-4-15(9-14)22(28)26-18-6-7-18/h2-5,8-10,12-13,18H,6-7,11H2,1H3,(H,23,27)(H,24,25)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.44	n/a	n/a	n/a	n/a	7.5	n/a
Bristol-Myers Squibb Company 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