Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 2' and Ligand = 'BDBM50246758'   

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 (Homo sapiens (Human))	BDBM50246758 (CHEMBL4093682) Show SMILES NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)c2ccc(CSCCC1=O)cc2)C(=O)CCC1CCCCC1)C(=O)Cc1ccc2OCOc2c1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C69H87N9O17S/c70-58(79)40-75-38-54(32-47-12-6-2-7-13-47)73-61(82)42-76(63(84)26-29-68(91)92)36-52(22-27-66(87)88)71-60(81)43-78(65(86)35-50-18-24-56-57(34-50)95-45-94-56)37-53(23-28-67(89)90)72-59(80)41-77(62(83)25-19-46-10-4-1-5-11-46)39-55(33-48-14-8-3-9-15-48)74-69(93)51-20-16-49(17-21-51)44-96-31-30-64(75)85/h2-3,6-9,12-18,20-21,24,34,46,52-55H,1,4-5,10-11,19,22-23,25-33,35-45H2,(H2,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,93)(H,87,88)(H,89,90)(H,91,92)/t52-,53-,54-,55-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Inhibition of EphA2 autophosphorylation at Ser897 in human C13 cells after 24 hrs by Western blot method				J Med Chem 60: 9290-9298 (2017) Article DOI: 10.1021/acs.jmedchem.7b01280 BindingDB Entry DOI: 10.7270/Q20C4Z5R
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