BDBM50319713 CHEMBL1084653::rac-4-(4-bromophenyl)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)pyrrolidine-3-carboxamide

SMILES: Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccc(Br)cc1

InChI Key: InChIKey=NEHGHSXICYDAEU-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 = 50319713   

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))	BDBM50319713 (CHEMBL1084653 | rac-4-(4-bromophenyl)-N-(7-chloro-...) Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccc(Br)cc1 Show InChI InChI=1S/C20H17BrClN3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK2 by luciferase based ATP detection assay				Bioorg Med Chem Lett 20: 3746-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.069 BindingDB Entry DOI: 10.7270/Q2XD12MD
					More data for this Ligand-Target Pair