Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM435720'   

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))	BDBM435720 (US10570155, Compound 8III | US11332479, Compound 8...) Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C25H21F3N6O3S2/c1-37-18-4-2-3-16(15-18)21-22(34-13-14-38-24(34)33-21)20-9-10-29-23(32-20)30-11-12-31-39(35,36)19-7-5-17(6-8-19)25(26,27)28/h2-10,13-15,31H,11-12H2,1H3,(H,29,30,32)	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	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM435720 (US10570155, Compound 8III | US11332479, Compound 8...) Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C25H21F3N6O3S2/c1-37-18-4-2-3-16(15-18)21-22(34-13-14-38-24(34)33-21)20-9-10-29-23(32-20)30-11-12-31-39(35,36)19-7-5-17(6-8-19)25(26,27)28/h2-10,13-15,31H,11-12H2,1H3,(H,29,30,32)	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	687	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM435720 (US10570155, Compound 8III | US11332479, Compound 8...) Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C25H21F3N6O3S2/c1-37-18-4-2-3-16(15-18)21-22(34-13-14-38-24(34)33-21)20-9-10-29-23(32-20)30-11-12-31-39(35,36)19-7-5-17(6-8-19)25(26,27)28/h2-10,13-15,31H,11-12H2,1H3,(H,29,30,32)	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	687	n/a	n/a	n/a	n/a	n/a	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				US Patent US10570155 (2020) BindingDB Entry DOI: 10.7270/Q2N300B1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM435720 (US10570155, Compound 8III | US11332479, Compound 8...) Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C25H21F3N6O3S2/c1-37-18-4-2-3-16(15-18)21-22(34-13-14-38-24(34)33-21)20-9-10-29-23(32-20)30-11-12-31-39(35,36)19-7-5-17(6-8-19)25(26,27)28/h2-10,13-15,31H,11-12H2,1H3,(H,29,30,32)	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	687	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair