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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM178854'   
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
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178854
PNG
(US9125913, 426)
Show SMILES CN(C)CC(=O)N1CCO[C@@H](COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1
Show InChI InChI=1S/C47H54Cl2N8O7S/c1-47(2)15-14-32(38(24-47)31-8-10-33(48)11-9-31)27-55-16-18-56(19-17-55)34-12-13-37(43(22-34)64-42-7-5-6-41-39(42)26-51-52-41)45(59)53-65(60,61)36-23-40(49)46(50-25-36)63-30-35-28-57(20-21-62-35)44(58)29-54(3)4/h5-13,22-23,25-26,35H,14-21,24,27-30H2,1-4H3,(H,51,52)(H,53,59)/t35-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.00700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair