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BDBM50535180 CHEMBL4468291

SMILES: CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN

InChI Key: InChIKey=CIEZGKXYHAJZRL-BRVDMHQTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535180   
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 receptor


(Homo sapiens (Human))		BDBM50535180
PNG
(CHEMBL4468291)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CCN |r|
Show InChI InChI=1S/C67H91N17O18S2/c1-35(2)56-66(102)80-47(30-37-13-17-40(86)18-14-37)61(97)76-43(9-5-26-73-67(70)71)58(94)72-27-24-52(87)75-44(19-21-54(89)90)59(95)77-45(20-22-55(91)92)60(96)78-48(31-38-32-74-42-8-4-3-7-41(38)42)63(99)81-49(57(69)93)33-103-104-34-50(64(100)83-56)82-62(98)46(29-36-11-15-39(85)16-12-36)79-65(101)51-10-6-28-84(51)53(88)23-25-68/h3-4,7-8,11-18,32,35,43-51,56,74,85-86H,5-6,9-10,19-31,33-34,68H2,1-2H3,(H2,69,93)(H,72,94)(H,75,87)(H,76,97)(H,77,95)(H,78,96)(H,79,101)(H,80,102)(H,81,99)(H,82,98)(H,83,100)(H,89,90)(H,91,92)(H4,70,71,73)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by...

ACS Med Chem Lett 7: 841-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00132
More data for this
Ligand-Target Pair