Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM333480'   

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))	BDBM333480 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C30H36N6O6/c1-30(2,3)26-18-27(35-42-26)34-29(37)33-20-7-5-8-21(15-20)41-28-22-16-25(24(38-4)17-23(22)31-19-32-28)40-12-6-9-36-10-13-39-14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333480 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C30H36N6O6/c1-30(2,3)26-18-27(35-42-26)34-29(37)33-20-7-5-8-21(15-20)41-28-22-16-25(24(38-4)17-23(22)31-19-32-28)40-12-6-9-36-10-13-39-14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333480 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C30H36N6O6/c1-30(2,3)26-18-27(35-42-26)34-29(37)33-20-7-5-8-21(15-20)41-28-22-16-25(24(38-4)17-23(22)31-19-32-28)40-12-6-9-36-10-13-39-14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)	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	29	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to BRAF V600E mutant				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
					More data for this Ligand-Target Pair