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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 2' and Ligand = 'BDBM50538267'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ephrin type-A receptor 2


(Homo sapiens (Human))		BDBM50538267
PNG
(CHEMBL4634880)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CC3CCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC2=O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C103H156N30O26S3/c1-52(2)35-64-88(145)121-69(39-60-43-109-48-113-60)100(157)131-29-14-22-74(131)95(152)112-44-78(136)115-67(38-59-42-111-62-20-11-10-19-61(59)62)92(149)127-84(57(9)134)99(156)124-71(93(150)114-56(8)85(106)142)45-160-32-25-79(137)128-49-129-51-130(50-128)81(139)27-34-162-47-73(125-90(147)68(41-82(140)141)118-87(144)63(116-86(143)55(7)104)21-13-28-110-103(107)108)102(159)133-31-16-24-76(133)97(154)120-66(37-58-17-12-18-58)91(148)126-83(54(5)6)98(155)122-70(40-77(105)135)101(158)132-30-15-23-75(132)96(153)119-65(36-53(3)4)89(146)123-72(94(151)117-64)46-161-33-26-80(129)138/h10-11,19-20,42-43,48,52-58,63-76,83-84,111,134H,12-18,21-41,44-47,49-51,104H2,1-9H3,(H2,105,135)(H2,106,142)(H,109,113)(H,112,152)(H,114,150)(H,115,136)(H,116,143)(H,117,151)(H,118,144)(H,119,153)(H,120,154)(H,121,145)(H,122,155)(H,123,146)(H,124,156)(H,125,147)(H,126,148)(H,127,149)(H,140,141)(H4,107,108,110)/t55-,56-,57+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-/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
 5.5n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair