Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM256584'   

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))	BDBM256584 (US10435361, Example 83(a) | US9481648, 83(a) | US9...) Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4-c4ccccc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C46H52N6O9S/c1-46(2,3)32-26-39(43(31-12-8-7-9-13-31)40(27-32)52-62(6,54)55)50-45(53)49-38-16-17-41(37-15-11-10-14-36(37)38)61-42-18-19-47-44(51-42)48-33-28-34(57-5)30-35(29-33)60-25-24-59-23-22-58-21-20-56-4/h7-19,26-30,52H,20-25H2,1-6H3,(H,47,48,51)(H2,49,50,53)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9790174 (2017) BindingDB Entry DOI: 10.7270/Q2M61NCF
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM256584 (US10435361, Example 83(a) | US9481648, 83(a) | US9...) Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4-c4ccccc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C46H52N6O9S/c1-46(2,3)32-26-39(43(31-12-8-7-9-13-31)40(27-32)52-62(6,54)55)50-45(53)49-38-16-17-41(37-15-11-10-14-36(37)38)61-42-18-19-47-44(51-42)48-33-28-34(57-5)30-35(29-33)60-25-24-59-23-22-58-21-20-56-4/h7-19,26-30,52H,20-25H2,1-6H3,(H,47,48,51)(H2,49,50,53)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9481648 (2016) BindingDB Entry DOI: 10.7270/Q24F1PNH
					More data for this Ligand-Target Pair