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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 = 'BDBM50071820'   
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))
BDBM50071820
PNG
(CHEMBL3410871)
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)NC(=O)C1(CCC1)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/C61H84N10O8/c1-35(62-9)51(72)68-49(59(3,4)5)55(76)70-33-40-30-41(27-26-39(40)31-47(70)53(74)66-45-24-15-20-37-18-11-13-22-43(37)45)64-57(78)61(28-17-29-61)58(79)65-42-32-48(54(75)67-46-25-16-21-38-19-12-14-23-44(38)46)71(34-42)56(77)50(60(6,7)8)69-52(73)36(2)63-10/h11-14,18-19,22-23,26-27,30,35-36,42,45-50,62-63H,15-17,20-21,24-25,28-29,31-34H2,1-10H3,(H,64,78)(H,65,79)(H,66,74)(H,67,75)(H,68,72)(H,69,73)/t35-,36-,42-,45+,46+,47-,48-,49+,50+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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