BDBM50097143 CHEMBL3580964

SMILES: Nc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1

InChI Key: InChIKey=LBCUDZVMIGSKCJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50097143   

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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50097143 (CHEMBL3580964) Show SMILES Nc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1 Show InChI InChI=1S/C16H18N8/c17-13-4-1-10(8-19-13)9-20-16-18-6-5-14(22-16)21-15-7-12(23-24-15)11-2-3-11/h1,4-8,11H,2-3,9H2,(H2,17,19)(H3,18,20,21,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...				J Med Chem 58: 5121-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00572 BindingDB Entry DOI: 10.7270/Q2DV1MN9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50097143 (CHEMBL3580964) Show SMILES Nc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1 Show InChI InChI=1S/C16H18N8/c17-13-4-1-10(8-19-13)9-20-16-18-6-5-14(22-16)21-15-7-12(23-24-15)11-2-3-11/h1,4-8,11H,2-3,9H2,(H2,17,19)(H3,18,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	563	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...				J Med Chem 58: 5121-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00572 BindingDB Entry DOI: 10.7270/Q2DV1MN9
					More data for this Ligand-Target Pair