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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BIR2' and Ligand = 'BDBM241189'   
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


()
BDBM241189
PNG
(US10053431, 98d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H31N5O6S/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-34-28-10-6-7-11-29(28)35(19-27(31(34)38)33-30(37)21(2)32-3)43(41,42)24-16-14-23(15-17-24)36(39)40/h4-17,21,27,32H,18-19H2,1-3H3,(H,33,37)/t21-,27-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 182n/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