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SMILES: [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCN(CC3)C(CF)CF)C2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=FRLNKPKUSFDSGE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 189695   
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))
BDBM189695
PNG
(US10213433, Compound 265 | US11369599, Compound 26...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCN(CC3)C(CF)CF)C2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C50H57ClF2N8O7S/c51-38-3-1-35(2-4-38)43-9-13-50(14-17-59(18-15-50)40(29-52)30-53)28-37(43)33-58-19-21-60(22-20-58)39-5-7-44(47(26-39)68-41-25-36-10-16-54-48(36)56-32-41)49(62)57-69(65,66)42-6-8-45(46(27-42)61(63)64)55-31-34-11-23-67-24-12-34/h1-8,10,16,25-27,32,34,40,55H,9,11-15,17-24,28-31,33H2,(H,54,56)(H,57,62)
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))
BDBM189695
PNG
(US10213433, Compound 265 | US11369599, Compound 26...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCN(CC3)C(CF)CF)C2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C50H57ClF2N8O7S/c51-38-3-1-35(2-4-38)43-9-13-50(14-17-59(18-15-50)40(29-52)30-53)28-37(43)33-58-19-21-60(22-20-58)39-5-7-44(47(26-39)68-41-25-36-10-16-54-48(36)56-32-41)49(62)57-69(65,66)42-6-8-45(46(27-42)61(63)64)55-31-34-11-23-67-24-12-34/h1-8,10,16,25-27,32,34,40,55H,9,11-15,17-24,28-31,33H2,(H,54,56)(H,57,62)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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


TBA

Assay Description
The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan...


Citation and Details

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


(Homo sapiens (Human))
BDBM189695
PNG
(US10213433, Compound 265 | US11369599, Compound 26...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCN(CC3)C(CF)CF)C2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C50H57ClF2N8O7S/c51-38-3-1-35(2-4-38)43-9-13-50(14-17-59(18-15-50)40(29-52)30-53)28-37(43)33-58-19-21-60(22-20-58)39-5-7-44(47(26-39)68-41-25-36-10-16-54-48(36)56-32-41)49(62)57-69(65,66)42-6-8-45(46(27-42)61(63)64)55-31-34-11-23-67-24-12-34/h1-8,10,16,25-27,32,34,40,55H,9,11-15,17-24,28-31,33H2,(H,54,56)(H,57,62)
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