BDBM50223458 6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinylbenzo[h]isoquinolin-1(2H)-one::CHEMBL401156

SMILES: NCCCc1cc2c(C=C)c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1

InChI Key: InChIKey=SLWVDHMWBWEZEM-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 = 50223458   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50223458 (6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinylbenzo...) Show SMILES NCCCc1cc2c(C=C)c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C21H20N4O/c1-2-13-10-23-21(26)20-18(13)9-15(4-3-7-22)17-6-5-14(8-19(17)20)16-11-24-25-12-16/h2,5-6,8-12H,1,3-4,7,22H2,(H,23,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence assay				Bioorg Med Chem Lett 17: 6280-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.007 BindingDB Entry DOI: 10.7270/Q2W958ZJ
					More data for this Ligand-Target Pair				3D Structure (docked)