Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 2 [596-900]' and Ligand = 'BDBM50399540'   

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
Ephrin type-A receptor 2 [596-900] (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Refer to Reaction Biology Corps.				ACS Chem Biol 11: 3400-3411 (2016) Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ephrin type-A receptor 2 [596-900] (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...				ACS Chem Biol 11: 3400-3411 (2016) Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M
					More data for this Ligand-Target Pair				3D Structure (crystal)