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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145200'   
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))
BDBM145200
PNG
(US8952157, 391 | US9303025, 391)
Show SMILES Nc1ncc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(CC3=C(CCC4(CCN(CC4)C(CF)CF)C3)c3ccc(Cl)cc3)CC2)cc1Cl |t:43|
Show InChI InChI=1S/C48H56Cl2F2N8O7S/c49-35-3-1-33(2-4-35)40-9-12-48(13-15-58(16-14-48)37(27-51)28-52)26-34(40)31-57-17-19-59(20-18-57)36-5-7-41(45(23-36)67-38-24-42(50)46(53)55-30-38)47(61)56-68(64,65)39-6-8-43(44(25-39)60(62)63)54-29-32-10-21-66-22-11-32/h1-8,23-25,30,32,37,54H,9-22,26-29,31H2,(H2,53,55)(H,56,61)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0100<-62.8n/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))
BDBM145200
PNG
(US8952157, 391 | US9303025, 391)
Show SMILES Nc1ncc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(CC3=C(CCC4(CCN(CC4)C(CF)CF)C3)c3ccc(Cl)cc3)CC2)cc1Cl |t:43|
Show InChI InChI=1S/C48H56Cl2F2N8O7S/c49-35-3-1-33(2-4-35)40-9-12-48(13-15-58(16-14-48)37(27-51)28-52)26-34(40)31-57-17-19-59(20-18-57)36-5-7-41(45(23-36)67-38-24-42(50)46(53)55-30-38)47(61)56-68(64,65)39-6-8-43(44(25-39)60(62)63)54-29-32-10-21-66-22-11-32/h1-8,23-25,30,32,37,54H,9-22,26-29,31H2,(H2,53,55)(H,56,61)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0100<-62.8n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

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