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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 = 'BDBM50495463'   
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))		BDBM50495463
PNG
(CHEMBL3108821)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(CC#CC#CCN2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)c3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C58H80N10O6/c1-39(59-3)53(69)63-51(41-21-9-7-10-22-41)57(73)67-35-19-29-49(67)55(71)61-45-31-37-65(47-27-15-13-25-43(45)47)33-17-5-6-18-34-66-38-32-46(44-26-14-16-28-48(44)66)62-56(72)50-30-20-36-68(50)58(74)52(42-23-11-8-12-24-42)64-54(70)40(2)60-4/h13-16,25-28,39-42,45-46,49-52,59-60H,7-12,19-24,29-38H2,1-4H3,(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t39-,40-,45+,46+,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 0.200n/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