Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 2' and Ligand = 'BDBM50538257'   

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))	BDBM50538257 (CHEMBL4647046) Show SMILES [H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(C)C)C(=O)N2)c3 |r| Show InChI InChI=1S/C80H111N19O20S4/c1-38(2)19-53-69(108)86-30-64(103)88-55(24-46-28-84-50-15-11-9-13-48(46)50)75(114)99-66(42(7)101)80(119)98-60(77(116)87-41(6)67(83)106)35-121-32-43-21-44-23-45(22-43)34-123-37-62(79(118)95-59(31-100)76(115)90-53)97-71(110)54(20-39(3)4)91-72(111)56(25-47-29-85-51-16-12-10-14-49(47)51)92-74(113)58(27-65(104)105)94-73(112)57(26-63(82)102)93-70(109)52(17-18-120-8)89-78(117)61(36-122-33-44)96-68(107)40(5)81/h9-16,21-23,28-29,38-42,52-62,66,84-85,100-101H,17-20,24-27,30-37,81H2,1-8H3,(H2,82,102)(H2,83,106)(H,86,108)(H,87,116)(H,88,103)(H,89,117)(H,90,115)(H,91,111)(H,92,113)(H,93,109)(H,94,112)(H,95,118)(H,96,107)(H,97,110)(H,98,119)(H,99,114)(H,104,105)/t40-,41-,42+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BicycleTx Limited Curated by ChEMBL					Assay Description Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo...				J Med Chem 63: 4107-4116 (2020) Article DOI: 10.1021/acs.jmedchem.9b02129 BindingDB Entry DOI: 10.7270/Q2474FC3
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