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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BIR2' and Ligand = 'BDBM239516'   
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


()
BDBM239516
PNG
(US10053431, 98c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C33H34N4O5S/c1-21-13-14-25-9-5-6-10-27(25)28(21)19-36-30-11-7-8-12-31(30)37(20-29(33(36)40)35-32(39)22(2)34-4)43(41,42)26-17-15-24(16-18-26)23(3)38/h5-18,22,29,34H,19-20H2,1-4H3,(H,35,39)/t22-,29-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 204n/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