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BDBM50495450 CHEMBL3108829

SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCN(CC1)C(C)=O

InChI Key: InChIKey=ANXADOFCYTZHLR-KEMMXFOBSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50495450   
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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM50495450
PNG
(CHEMBL3108829)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C60H80N10O10/c1-37(61-5)55(73)63-51(41-23-29-67(30-24-41)39(3)71)59(77)69-27-15-21-47(69)57(75)65-53-45-19-11-9-17-43(45)35-49(53)79-33-13-7-8-14-34-80-50-36-44-18-10-12-20-46(44)54(50)66-58(76)48-22-16-28-70(48)60(78)52(64-56(74)38(2)62-6)42-25-31-68(32-26-42)40(4)72/h9-12,17-20,37-38,41-42,47-54,61-62H,15-16,21-36H2,1-6H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t37-,38-,47-,48-,49+,50+,51-,52-,53-,54-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>370n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA

J Med Chem 56: 9897-919 (2013)


Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C
More data for this
Ligand-Target Pair