Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50330925'   

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))	BDBM50330925 (7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12 |r,wU:3.3,5.4,(16.85,-11.72,;16.86,-13.27,;15.53,-14.05,;15.54,-15.59,;16.62,-14.49,;18.2,-14.03,;18.21,-15.57,;16.87,-16.35,;16.88,-17.88,;15.54,-18.66,;15.55,-20.2,;14.22,-20.98,;16.89,-20.96,;18.22,-20.19,;19.56,-20.96,;18.22,-18.65,;16.9,-22.5,;15.57,-23.27,;15.57,-24.82,;16.9,-25.59,;18.24,-24.81,;19.71,-25.29,;20.62,-24.04,;19.71,-22.78,;18.23,-23.26,;22.16,-24.03,;22.93,-25.37,;24.47,-25.37,;25.24,-24.04,;24.46,-22.7,;22.92,-22.7,;20.19,-26.76,;21.69,-27.07,;22.17,-28.53,;21.14,-29.69,;21.62,-31.15,;19.63,-29.37,;18.38,-30.26,;17.14,-29.36,;17.62,-27.9,;19.16,-27.9,)| Show InChI InChI=1S/C30H23F3N8/c1-39-14-19-10-18(39)15-40(19)17-11-23(32)27(24(33)12-17)25-6-9-35-30-26(20-2-3-22(31)29-21(20)13-36-37-29)28(38-41(25)30)16-4-7-34-8-5-16/h2-9,11-13,18-19H,10,14-15H2,1H3,(H,36,37)/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	0.110	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