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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 144875   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144875
PNG
(US8952157, 57 | US9303025, 57)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)C(F)(F)F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClF3N6O6S/c1-44(2)18-15-31(39(28-44)30-7-9-33(46)10-8-30)29-53-21-23-54(24-22-53)35-11-13-38(42(26-35)61-36-6-4-5-32(25-36)45(47,48)49)43(56)51-62(59,60)37-12-14-40(41(27-37)55(57)58)50-34-16-19-52(3)20-17-34/h4-14,25-27,34,50H,15-24,28-29H2,1-3H3,(H,51,56)
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PC cid
PC sid
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Similars

US Patent
0.147 -56.1n/an/an/an/an/an/a25



AbbVie Inc

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144875
PNG
(US8952157, 57 | US9303025, 57)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)C(F)(F)F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClF3N6O6S/c1-44(2)18-15-31(39(28-44)30-7-9-33(46)10-8-30)29-53-21-23-54(24-22-53)35-11-13-38(42(26-35)61-36-6-4-5-32(25-36)45(47,48)49)43(56)51-62(59,60)37-12-14-40(41(27-37)55(57)58)50-34-16-19-52(3)20-17-34/h4-14,25-27,34,50H,15-24,28-29H2,1-3H3,(H,51,56)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.147 -56.1n/an/an/an/an/an/a25



AbbVie Inc

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair