Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50514787'   

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))	BDBM50514787 (CHEMBL4449322) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)N(C)C5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C43H41F2N7O8S/c1-3-18-61(59,60)50-33-14-13-32(44)37(38(33)45)39(55)31-23-49-40-29(31)19-26(22-48-40)25-9-7-24(8-10-25)21-47-35(53)6-4-5-17-46-27-11-12-28-30(20-27)42(57)52(41(28)56)34-15-16-36(54)51(2)43(34)58/h7-14,19-20,22-23,34,46,50H,3-6,15-18,21H2,1-2H3,(H,47,53)(H,48,49)	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	n/a	5.10	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514787 (CHEMBL4449322) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)N(C)C5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C43H41F2N7O8S/c1-3-18-61(59,60)50-33-14-13-32(44)37(38(33)45)39(55)31-23-49-40-29(31)19-26(22-48-40)25-9-7-24(8-10-25)21-47-35(53)6-4-5-17-46-27-11-12-28-30(20-27)42(57)52(41(28)56)34-15-16-36(54)51(2)43(34)58/h7-14,19-20,22-23,34,46,50H,3-6,15-18,21H2,1-2H3,(H,47,53)(H,48,49)	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	n/a	7.30	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair