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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 = 'BDBM50071844'   
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))
BDBM50071844
PNG
(CHEMBL3410875)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1/C56H77N9O7/c1-32(57-9)48(66)62-46(55(3,4)5)53(71)64-30-37-27-39(26-25-36(37)28-44(64)51(69)60-42-23-15-19-34-17-11-13-21-40(34)42)59-50(68)38-29-45(52(70)61-43-24-16-20-35-18-12-14-22-41(35)43)65(31-38)54(72)47(56(6,7)8)63-49(67)33(2)58-10/h11-14,17-18,21-22,25-27,32-33,38,42-47,57-58H,15-16,19-20,23-24,28-31H2,1-10H3,(H,59,68)(H,60,69)(H,61,70)(H,62,66)(H,63,67)/t32-,33-,38-,42+,43+,44-,45-,46+,47+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal His-tagged cIAP1 BIR2-3 C202A/C213G mutant after 60 mins by HTRF assay


J Med Chem 58: 1556-62 (2015)


Article DOI: 10.1021/jm501482t
BindingDB Entry DOI: 10.7270/Q2N29ZM8
More data for this
Ligand-Target Pair