Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50389687'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50389687 (CHEMBL2070054 | US10544104, Compound 41 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Inhibition of human tyrosine kinases.				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50389687 (CHEMBL2070054 | US10544104, Compound 41 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR CO US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50389687 (CHEMBL2070054 | US10544104, Compound 41 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging method				J Med Chem 55: 2416-26 (2012) Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V
					More data for this Ligand-Target Pair