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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](CCC(N)=O)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

InChI Key: InChIKey=HJJCEBZOEPPOLX-XFTCOJMTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538256   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50538256
PNG
(CHEMBL4644287)
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](CCC(N)=O)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/C82H114N20O20S4/c1-39(2)21-55-71(111)89-32-66(106)91-57(26-47-30-87-51-15-11-9-13-49(47)51)78(118)102-68(43(7)103)82(122)101-61(79(119)90-42(6)69(86)109)36-124-33-44-23-45-25-46(24-44)35-126-38-63(81(121)92-53(72(112)94-55)17-18-64(84)104)100-74(114)56(22-40(3)4)95-75(115)58(27-48-31-88-52-16-12-10-14-50(48)52)96-77(117)60(29-67(107)108)98-76(116)59(28-65(85)105)97-73(113)54(19-20-123-8)93-80(120)62(37-125-34-45)99-70(110)41(5)83/h9-16,23-25,30-31,39-43,53-63,68,87-88,103H,17-22,26-29,32-38,83H2,1-8H3,(H2,84,104)(H2,85,105)(H2,86,109)(H,89,111)(H,90,119)(H,91,106)(H,92,121)(H,93,120)(H,94,112)(H,95,115)(H,96,117)(H,97,113)(H,98,116)(H,99,110)(H,100,114)(H,101,122)(H,102,118)(H,107,108)/t41-,42-,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PubMed
 56n/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)

More data for this
Ligand-Target Pair