BDBM50156788 CHEMBL3794104

SMILES: NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1

InChI Key: InChIKey=VJCCWFNUFSJBNG-UHFFFAOYSA-N

Data: 1 KI

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 = 50156788   

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))	BDBM50156788 (CHEMBL3794104) Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClN3O/c19-15-4-1-12(2-5-15)17(10-20)18(23)22-16-6-3-14-11-21-8-7-13(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aerie Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay				Bioorg Med Chem Lett 26: 2475-80 (2016) BindingDB Entry DOI: 10.7270/Q2VD71CH
					More data for this Ligand-Target Pair