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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 [260-351]' and Ligand = 'BDBM412177'   
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 [260-351]


(Homo sapiens (Human))		BDBM412177
PNG
(N-(4-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylami...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1 |r|
Show InChI InChI=1S/C63H74F2N10O8/c1-38-32-73(49(31-67-38)34-72-24-27-83-36-39(72)2)35-55(76)75-37-63(4,51-20-12-42(29-54(51)75)28-41-10-14-46(64)15-11-41)62(81)69-48-18-16-47(17-19-48)68-59(78)44-13-21-52(65)53(30-44)70-60(79)57-50-9-7-6-8-45(50)33-74(57)61(80)56(43-22-25-82-26-23-43)71-58(77)40(3)66-5/h6-21,29-30,38-40,43,49,56-57,66-67H,22-28,31-37H2,1-5H3,(H,68,78)(H,69,81)(H,70,79)(H,71,77)/t38-,39-,40+,49-,56+,57+,63?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For the Bir3 assay, 25.5 nanomolar BIR3 domain, corresponding to amino acids 260-352 of cIAP, was mixed with 41 nM of the peptide AVPIAQKSEK-(ε-...

US Patent US10398702 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5R67
More data for this
Ligand-Target Pair