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SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=SDEIFUAFVPHPRQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 189602   
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))
BDBM189602
PNG
(US10213433, Compound 164 | US11369599, Compound 16...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
Show InChI InChI=1S/C48H55ClN8O6S/c1-48(2)17-13-35(42(28-48)33-3-5-36(49)6-4-33)31-54-21-23-56(24-22-54)38-9-11-41(45(26-38)63-39-25-34-14-18-50-46(34)52-30-39)47(58)53-64(61,62)40-10-12-43(44(27-40)57(59)60)51-29-32-15-19-55(20-16-32)37-7-8-37/h3-6,9-12,14,18,25-27,30,32,37,51H,7-8,13,15-17,19-24,28-29,31H2,1-2H3,(H,50,52)(H,53,58)
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))
BDBM189602
PNG
(US10213433, Compound 164 | US11369599, Compound 16...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
Show InChI InChI=1S/C48H55ClN8O6S/c1-48(2)17-13-35(42(28-48)33-3-5-36(49)6-4-33)31-54-21-23-56(24-22-54)38-9-11-41(45(26-38)63-39-25-34-14-18-50-46(34)52-30-39)47(58)53-64(61,62)40-10-12-43(44(27-40)57(59)60)51-29-32-15-19-55(20-16-32)37-7-8-37/h3-6,9-12,14,18,25-27,30,32,37,51H,7-8,13,15-17,19-24,28-29,31H2,1-2H3,(H,50,52)(H,53,58)
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

BindingDB Entry DOI: 10.7270/Q21V5J59
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189602
PNG
(US10213433, Compound 164 | US11369599, Compound 16...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
Show InChI InChI=1S/C48H55ClN8O6S/c1-48(2)17-13-35(42(28-48)33-3-5-36(49)6-4-33)31-54-21-23-56(24-22-54)38-9-11-41(45(26-38)63-39-25-34-14-18-50-46(34)52-30-39)47(58)53-64(61,62)40-10-12-43(44(27-40)57(59)60)51-29-32-15-19-55(20-16-32)37-7-8-37/h3-6,9-12,14,18,25-27,30,32,37,51H,7-8,13,15-17,19-24,28-29,31H2,1-2H3,(H,50,52)(H,53,58)
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