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BDBM145108 US8952157, 299::US9303025, 299

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]cc(CCN)c4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=LRDOTWSAZKSOOL-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 145108   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145108
PNG
(US8952157, 299 | US9303025, 299)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]cc(CCN)c4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H56ClN7O7S/c1-48(2)17-13-35(42(28-48)33-3-5-36(49)6-4-33)31-54-19-21-55(22-20-54)37-7-10-40(46(25-37)63-38-8-11-43-41(26-38)34(14-18-50)30-52-43)47(57)53-64(60,61)39-9-12-44(45(27-39)56(58)59)51-29-32-15-23-62-24-16-32/h3-12,25-27,30,32,51-52H,13-24,28-29,31,50H2,1-2H3,(H,53,57)
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Similars

US Patent
51.7 -9.93n/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))
BDBM145108
PNG
(US8952157, 299 | US9303025, 299)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]cc(CCN)c4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H56ClN7O7S/c1-48(2)17-13-35(42(28-48)33-3-5-36(49)6-4-33)31-54-19-21-55(22-20-54)37-7-10-40(46(25-37)63-38-8-11-43-41(26-38)34(14-18-50)30-52-43)47(57)53-64(60,61)39-9-12-44(45(27-39)56(58)59)51-29-32-15-23-62-24-16-32/h3-12,25-27,30,32,51-52H,13-24,28-29,31,50H2,1-2H3,(H,53,57)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
51.7 -9.93n/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