BDBM50251149 CHEMBL4093805

SMILES: NC1CCN(CC1)c1nc(Nc2cc([nH]n2)-c2ccccc2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=HSWPYWJLTHVCAK-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 = 50251149   

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 PAK 4 (Homo sapiens (Human))	BDBM50251149 (CHEMBL4093805) Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)-c2ccccc2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C22H22ClN7/c23-15-6-7-18-17(12-15)21(27-22(25-18)30-10-8-16(24)9-11-30)26-20-13-19(28-29-20)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11,24H2,(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
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