Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50330920'   

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))	BDBM50330920 (3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methy...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12 |r,wU:3.3,5.4,(28.5,5.92,;28.51,4.38,;27.17,3.6,;27.18,2.06,;28.27,3.16,;29.85,3.62,;29.85,2.08,;28.52,1.3,;28.53,-.23,;29.86,-1,;29.87,-2.54,;28.53,-3.31,;27.2,-2.55,;27.19,-1.01,;28.54,-4.85,;27.21,-5.62,;27.21,-7.17,;28.55,-7.94,;29.88,-7.16,;31.36,-7.64,;32.27,-6.39,;31.35,-5.13,;29.88,-5.61,;33.8,-6.38,;34.57,-7.72,;36.11,-7.72,;36.89,-6.39,;36.11,-5.05,;34.57,-5.05,;31.83,-9.11,;33.33,-9.42,;33.81,-10.88,;32.78,-12.04,;33.26,-13.5,;31.27,-11.72,;30.03,-12.61,;28.79,-11.71,;29.27,-10.25,;30.8,-10.25,)| Show InChI InChI=1S/C30H25FN8/c1-37-16-22-14-21(37)17-38(22)20-4-2-18(3-5-20)26-10-13-33-30-27(23-6-7-25(31)29-24(23)15-34-35-29)28(36-39(26)30)19-8-11-32-12-9-19/h2-13,15,21-22H,14,16-17H2,1H3,(H,34,35)/t21-,22-/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	0.5	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
					More data for this Ligand-Target Pair