Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50330923'   

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))	BDBM50330923 (3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-te...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1c(F)c(F)c(c(F)c1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(-7.9,5.85,;-7.89,4.3,;-9.22,3.52,;-9.21,1.98,;-8.13,3.08,;-6.55,3.54,;-6.54,2,;-7.88,1.22,;-7.87,-.31,;-6.53,-1.08,;-5.2,-.3,;-6.53,-2.62,;-5.19,-3.39,;-7.86,-3.39,;-9.19,-2.63,;-10.52,-3.41,;-9.2,-1.09,;-10.54,-.33,;-7.85,-4.93,;-9.18,-5.7,;-9.18,-7.24,;-7.85,-8.02,;-6.51,-7.24,;-5.04,-7.72,;-4.13,-6.47,;-5.04,-5.21,;-6.51,-5.69,;-2.59,-6.46,;-1.82,-7.8,;-.28,-7.8,;.49,-6.46,;-.29,-5.13,;-1.82,-5.13,;-4.56,-9.19,;-3.06,-9.5,;-2.58,-10.96,;-3.61,-12.12,;-5.12,-11.8,;-6.37,-12.69,;-7.61,-11.78,;-7.13,-10.33,;-5.59,-10.33,)| Show InChI InChI=1S/C30H22F4N8/c1-40-13-17-11-16(40)14-41(17)29-26(33)24(31)23(25(32)27(29)34)21-7-10-36-30-22(18-3-2-4-20-19(18)12-37-38-20)28(39-42(21)30)15-5-8-35-9-6-15/h2-10,12,16-17H,11,13-14H2,1H3,(H,37,38)/t16-,17-/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	0.350	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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