BDBM50069231 CHEMBL3402452

SMILES: COc1cccc(CNC(=O)Nc2ccc(cc2N(C)C)-c2cn[nH]c2)c1

InChI Key: InChIKey=VPSDUOCIMKDJFS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50069231   

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))	BDBM50069231 (CHEMBL3402452) Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2N(C)C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C20H23N5O2/c1-25(2)19-10-15(16-12-22-23-13-16)7-8-18(19)24-20(26)21-11-14-5-4-6-17(9-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H2,21,24,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode				Bioorg Med Chem 23: 2505-17 (2015) Article DOI: 10.1016/j.bmc.2015.03.047 BindingDB Entry DOI: 10.7270/Q2ZP47SX
					More data for this Ligand-Target Pair