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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 = 'BDBM50030270'   
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))
BDBM50030270
PNG
(CHEMBL3339219 | US9783573, Example 23)
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)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)o1)C(C)(C)C |r|
Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-31-39-27-38(26-25-37(39)28-45(70)53(75)65-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-63-30-47(80-58)55(77)64-40-29-46(54(76)66-44-24-16-20-36-18-12-14-22-42(36)44)71(32-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,30,33-34,40,43-46,48-49,61-62H,15-16,19-20,23-24,28-29,31-32H2,1-10H3,(H,64,77)(H,65,75)(H,66,76)(H,67,72)(H,68,73)(H,63,69,74)/t33-,34-,40-,43+,44+,45-,46-,48+,49+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat...


Bioorg Med Chem Lett 24: 5022-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8
More data for this
Ligand-Target Pair