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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 = 'BDBM60825'   
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


(Homo sapiens (Human))
BDBM60825
PNG
(US9174982, 343)
Show SMILES C[C@]1(O)C[C@@H]2C[C@@H]1CC2CONc1ncc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H53Cl2N7O6S/c1-46(2)12-10-31(40(24-46)29-4-6-35(48)7-5-29)27-55-14-16-56(17-15-55)36-8-9-39(42(21-36)62-37-20-30-11-13-50-43(30)51-25-37)45(57)54-63(59,60)38-22-41(49)44(52-26-38)53-61-28-33-19-34-18-32(33)23-47(34,3)58/h4-9,11,13,20-22,25-26,32-34,58H,10,12,14-19,23-24,27-28H2,1-3H3,(H,50,51)(H,52,53)(H,54,57)/t32-,33?,34+,47-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100n/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