Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM221706'   

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))	BDBM221706 (US10568884, Cpd 27 | US9314464, 27 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(NS(C)(=O)=O)c(C)c(OC)c1)C(C)C |r| Show InChI InChI=1S/C24H33N7O5S/c1-14(2)31-13-18(19-8-9-25-23(28-19)26-12-15(3)27-24(32)36-6)22(29-31)17-10-20(30-37(7,33)34)16(4)21(11-17)35-5/h8-11,13-15,30H,12H2,1-7H3,(H,27,32)(H,25,26,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description B-Raf (V600E; 4 μM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, ...				US Patent US9314464 (2016) BindingDB Entry DOI: 10.7270/Q2J67FS0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221706 (US10568884, Cpd 27 | US9314464, 27 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(NS(C)(=O)=O)c(C)c(OC)c1)C(C)C |r| Show InChI InChI=1S/C24H33N7O5S/c1-14(2)31-13-18(19-8-9-25-23(28-19)26-12-15(3)27-24(32)36-6)22(29-31)17-10-20(30-37(7,33)34)16(4)21(11-17)35-5/h8-11,13-15,30H,12H2,1-7H3,(H,27,32)(H,25,26,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...				US Patent US9593099 (2017) BindingDB Entry DOI: 10.7270/Q2BV7JPK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221706 (US10568884, Cpd 27 | US9314464, 27 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(NS(C)(=O)=O)c(C)c(OC)c1)C(C)C |r| Show InChI InChI=1S/C24H33N7O5S/c1-14(2)31-13-18(19-8-9-25-23(28-19)26-12-15(3)27-24(32)36-6)22(29-31)17-10-20(30-37(7,33)34)16(4)21(11-17)35-5/h8-11,13-15,30H,12H2,1-7H3,(H,27,32)(H,25,26,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...				US Patent US9593100 (2017) BindingDB Entry DOI: 10.7270/Q2765HDB
					More data for this Ligand-Target Pair