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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'XIAP protein BIR2' and Ligand = 'BDBM240889'   
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
XIAP protein BIR2


(Artificial Sequence)
BDBM240889
PNG
(US9409888, 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C56H60Br2N8O8/c1-33(59-3)53(69)61-43-31-63(45-13-7-9-15-47(45)65(55(43)71)29-41-39-23-21-37(57)27-35(39)19-25-49(41)73-5)51(67)17-11-12-18-52(68)64-32-44(62-54(70)34(2)60-4)56(72)66(48-16-10-8-14-46(48)64)30-42-40-24-22-38(58)28-36(40)20-26-50(42)74-6/h7-10,13-16,19-28,33-34,43-44,59-60H,11-12,17-18,29-32H2,1-6H3,(H,61,69)(H,62,70)/t33-,34-,43-,44-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.375n/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 US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair