Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RAF proto-oncogene serine/threonine-protein kinase' and Ligand = 'BDBM50339624'   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339624 (CHEMBL1688864 | rac-4-{[7-({[4-Chloro-3-(trifluoro...) Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 Show InChI InChI=1S/C25H21ClF3N3O3/c1-30-24(34)22-13-19(8-9-31-22)35-18-6-4-14-2-3-15(10-16(14)11-18)23(33)32-17-5-7-21(26)20(12-17)25(27,28)29/h4-9,11-13,15H,2-3,10H2,1H3,(H,30,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339624 (CHEMBL1688864 | rac-4-{[7-({[4-Chloro-3-(trifluoro...) Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 Show InChI InChI=1S/C25H21ClF3N3O3/c1-30-24(34)22-13-19(8-9-31-22)35-18-6-4-14-2-3-15(10-16(14)11-18)23(33)32-17-5-7-21(26)20(12-17)25(27,28)29/h4-9,11-13,15H,2-3,10H2,1H3,(H,30,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair