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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BIR2' and Ligand = 'BDBM238896'   
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
BIR2


()
BDBM238896
PNG
(US10053431, 96g)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C34H34N4O4/c1-21-16-17-24-10-5-6-13-27(24)28(21)19-37-30-14-7-8-15-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)26-12-9-11-25(18-26)23(3)39/h5-18,22,29,35H,19-20H2,1-4H3,(H,36,40)/t22-,29-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 65n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair