BDBM50431123 CHEMBL2332066

SMILES: COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1

InChI Key: InChIKey=AVQDXYFGOJTGHH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50431123   

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))	BDBM50431123 (CHEMBL2332066) Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,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	17	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50431123 (CHEMBL2332066) Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,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	17	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay				J Med Chem 56: 3568-81 (2013) Article DOI: 10.1021/jm400062r BindingDB Entry DOI: 10.7270/Q28C9XMJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50431123 (CHEMBL2332066) Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,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	17	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