Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50513875'   

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))	BDBM50513875 (CHEMBL4457468) Show SMILES Nc1ccc(cn1)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C19H13ClF2N6O2S/c20-12-2-1-3-13(8-12)31(29,30)26-15-6-5-14(21)19(18(15)22)28-10-16(25-27-28)11-4-7-17(23)24-9-11/h1-10,26H,(H2,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664 BindingDB Entry DOI: 10.7270/Q2JD514T
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