Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50330918'   

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))	BDBM50330918 ((1R,4R)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)...) Show SMILES Fc1cc(CN2C[C@H]3C[C@@H]2CO3)ccc1-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wD:9.8,7.7,(-13.19,-23.21,;-11.86,-22.44,;-11.88,-20.9,;-10.53,-20.12,;-10.54,-18.57,;-9.21,-17.8,;-7.88,-18.58,;-6.54,-17.83,;-7.7,-16.67,;-9.19,-16.26,;-7.86,-15.5,;-6.52,-16.28,;-9.19,-20.88,;-9.19,-22.42,;-10.52,-23.2,;-10.51,-24.73,;-11.85,-25.5,;-11.85,-27.05,;-10.51,-27.82,;-9.18,-27.05,;-7.7,-27.53,;-6.79,-26.27,;-7.7,-25.02,;-9.18,-25.5,;-5.25,-26.27,;-4.48,-27.61,;-2.94,-27.61,;-2.17,-26.27,;-2.95,-24.93,;-4.49,-24.94,;-7.23,-28.99,;-5.72,-29.31,;-5.24,-30.77,;-6.27,-31.92,;-7.78,-31.6,;-9.03,-32.5,;-10.27,-31.59,;-9.79,-30.13,;-8.25,-30.14,)| Show InChI InChI=1S/C30H24FN7O/c31-25-12-18(15-37-16-21-13-20(37)17-39-21)4-5-23(25)27-8-11-33-30-28(22-2-1-3-26-24(22)14-34-35-26)29(36-38(27)30)19-6-9-32-10-7-19/h1-12,14,20-21H,13,15-17H2,(H,34,35)/t20-,21-/m1/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	0.520	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