Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50330922'   

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))	BDBM50330922 (7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(cc1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(12.11,-32.8,;12.12,-34.34,;10.78,-35.12,;10.8,-36.66,;11.88,-35.56,;13.46,-35.1,;13.47,-36.64,;12.13,-37.42,;12.14,-38.95,;10.8,-39.73,;10.81,-41.27,;9.48,-42.05,;12.15,-42.03,;13.48,-41.26,;13.48,-39.72,;14.81,-38.95,;12.16,-43.57,;10.83,-44.34,;10.82,-45.89,;12.16,-46.66,;13.49,-45.88,;14.97,-46.36,;15.88,-45.11,;14.97,-43.85,;13.49,-44.33,;17.42,-45.1,;18.19,-46.44,;19.73,-46.44,;20.5,-45.11,;19.72,-43.77,;18.18,-43.77,;15.44,-47.83,;16.95,-48.14,;17.43,-49.6,;16.39,-50.76,;14.88,-50.44,;13.64,-51.33,;12.4,-50.42,;12.88,-48.97,;14.42,-48.97,)| Show InChI InChI=1S/C30H24F2N8/c1-38-15-19-11-18(38)16-39(19)27-13-23(31)21(12-24(27)32)26-7-10-34-30-28(20-3-2-4-25-22(20)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,18-19H,11,15-16H2,1H3,(H,35,36)/t18-,19-/m0/s1	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	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BRAF				J Med Chem 53: 7874-8 (2010) Article DOI: 10.1021/jm1007566 BindingDB Entry DOI: 10.7270/Q2HM58Q3
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