BDBM50417678 CHEMBL1643365

SMILES: Nc1nccc2cc(CNCc3cccc(Oc4ccccc4)c3)ccc12

InChI Key: InChIKey=FMXRSRFLWJWPTN-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 = 50417678   

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 1 (Homo sapiens (Human))	BDBM50417678 (CHEMBL1643365) Show SMILES Nc1nccc2cc(CNCc3cccc(Oc4ccccc4)c3)ccc12 Show InChI InChI=1S/C23H21N3O/c24-23-22-10-9-18(13-19(22)11-12-26-23)16-25-15-17-5-4-8-21(14-17)27-20-6-2-1-3-7-20/h1-14,25H,15-16H2,(H2,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of ROCK-1 by Immobilized metal ion affinity-based fluorescence polarization assay				Bioorg Med Chem Lett 21: 97-101 (2010) Article DOI: 10.1016/j.bmcl.2010.11.060 BindingDB Entry DOI: 10.7270/Q29W0GQK
					More data for this Ligand-Target Pair