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BDBM145193 US8952157, 384::US9303025, 384

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3Cl)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=QXKXIIULNIOMEX-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 145193   
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))
BDBM145193
PNG
(US8952157, 384 | US9303025, 384)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2N7O7S/c1-45(2)15-11-31(37(25-45)30-3-5-32(46)6-4-30)28-52-17-19-53(20-18-52)33-7-9-35(40(23-33)61-41-27-50-43-36(42(41)47)12-16-48-43)44(55)51-62(58,59)34-8-10-38(39(24-34)54(56)57)49-26-29-13-21-60-22-14-29/h3-10,12,16,23-24,27,29,49H,11,13-15,17-22,25-26,28H2,1-2H3,(H,48,50)(H,51,55)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
6.23 -11.2n/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))
BDBM145193
PNG
(US8952157, 384 | US9303025, 384)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2N7O7S/c1-45(2)15-11-31(37(25-45)30-3-5-32(46)6-4-30)28-52-17-19-53(20-18-52)33-7-9-35(40(23-33)61-41-27-50-43-36(42(41)47)12-16-48-43)44(55)51-62(58,59)34-8-10-38(39(24-34)54(56)57)49-26-29-13-21-60-22-14-29/h3-10,12,16,23-24,27,29,49H,11,13-15,17-22,25-26,28H2,1-2H3,(H,48,50)(H,51,55)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
6.23 -11.2n/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