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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50495459'   
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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM50495459
PNG
(CHEMBL3108921)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC2(CC2)[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1N(CSC11CC1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r|
Show InChI InChI=1S/C60H78N8O8S2/c1-37(61-3)53(69)63-47(39-19-9-7-10-20-39)57(73)67-35-77-59(27-28-59)51(67)55(71)65-49-43-25-15-13-23-41(43)33-45(49)75-31-17-5-6-18-32-76-46-34-42-24-14-16-26-44(42)50(46)66-56(72)52-60(29-30-60)78-36-68(52)58(74)48(40-21-11-8-12-22-40)64-54(70)38(2)62-4/h13-16,23-26,37-40,45-52,61-62H,7-12,19-22,27-36H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t37-,38-,45+,46+,47-,48-,49-,50-,51+,52+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.600n/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