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SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=LTQSONOIEBRYPY-JGCGQSQUSA-N

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

Found 3 hits for monomerid = 189669   
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))
BDBM189669
PNG
(US10213433, Compound 238 | US11369599, Compound 23...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
Show InChI InChI=1S/C43H46ClN7O7S/c1-43(2)14-11-30(37(24-43)28-3-5-31(44)6-4-28)26-49-16-18-50(19-17-49)33-7-9-36(40(22-33)58-34-21-29-12-15-45-41(29)46-25-34)42(52)48-59(55,56)35-8-10-38(39(23-35)51(53)54)47-32-13-20-57-27-32/h3-10,12,15,21-23,25,32,47H,11,13-14,16-20,24,26-27H2,1-2H3,(H,45,46)(H,48,52)/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189669
PNG
(US10213433, Compound 238 | US11369599, Compound 23...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
Show InChI InChI=1S/C43H46ClN7O7S/c1-43(2)14-11-30(37(24-43)28-3-5-31(44)6-4-28)26-49-16-18-50(19-17-49)33-7-9-36(40(22-33)58-34-21-29-12-15-45-41(29)46-25-34)42(52)48-59(55,56)35-8-10-38(39(23-35)51(53)54)47-32-13-20-57-27-32/h3-10,12,15,21-23,25,32,47H,11,13-14,16-20,24,26-27H2,1-2H3,(H,45,46)(H,48,52)/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

<0.0100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189669
PNG
(US10213433, Compound 238 | US11369599, Compound 23...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:55|
Show InChI InChI=1S/C43H46ClN7O7S/c1-43(2)14-11-30(37(24-43)28-3-5-31(44)6-4-28)26-49-16-18-50(19-17-49)33-7-9-36(40(22-33)58-34-21-29-12-15-45-41(29)46-25-34)42(52)48-59(55,56)35-8-10-38(39(23-35)51(53)54)47-32-13-20-57-27-32/h3-10,12,15,21-23,25,32,47H,11,13-14,16-20,24,26-27H2,1-2H3,(H,45,46)(H,48,52)/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair