Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50330916'   

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))	BDBM50330916 ((1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)...) Show SMILES CN1C[C@@H]2CC[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wD:6.6,3.9,(-6.71,3.85,;-6.7,2.31,;-8.04,1.53,;-8.03,-.01,;-7.27,1.33,;-6.47,.46,;-5.36,1.55,;-5.36,.01,;-6.69,-.77,;-6.69,-2.3,;-5.35,-3.07,;-5.34,-4.61,;-6.68,-5.39,;-8.01,-4.62,;-8.02,-3.09,;-6.67,-6.92,;-8,-7.69,;-8,-9.24,;-6.67,-10.01,;-5.33,-9.24,;-3.86,-9.72,;-2.94,-8.46,;-3.86,-7.21,;-5.33,-7.69,;-1.41,-8.46,;-.64,-9.8,;.9,-9.8,;1.68,-8.46,;.9,-7.12,;-.64,-7.13,;-3.38,-11.18,;-1.88,-11.5,;-1.4,-12.96,;-2.43,-14.11,;-3.94,-13.79,;-5.19,-14.69,;-6.42,-13.78,;-5.94,-12.32,;-4.41,-12.33,)| Show InChI InChI=1S/C31H28N8/c1-37-18-24-10-9-23(37)19-38(24)22-7-5-20(6-8-22)28-13-16-33-31-29(25-3-2-4-27-26(25)17-34-35-27)30(36-39(28)31)21-11-14-32-15-12-21/h2-8,11-17,23-24H,9-10,18-19H2,1H3,(H,34,35)/t23-,24-/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	0.710	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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