Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50180338'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180338 (2-(3-Phenylpropylamino)-6-(3-acetamidophenyl)pyraz...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(NCCCc2ccccc2)n1 Show InChI InChI=1S/C21H22N4O/c1-16(26)24-19-11-5-10-18(13-19)20-14-22-15-21(25-20)23-12-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180338 (2-(3-Phenylpropylamino)-6-(3-acetamidophenyl)pyraz...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(NCCCc2ccccc2)n1 Show InChI InChI=1S/C21H22N4O/c1-16(26)24-19-11-5-10-18(13-19)20-14-22-15-21(25-20)23-12-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair