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BDBM178633 US9125913, 198

SMILES: [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(ccc2-c2ccc(Cl)cc2)N2CCOCC2)CC1

InChI Key: InChIKey=WPCFQNFZHUYXAC-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 178633   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178633
PNG
(US9125913, 198)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(ccc2-c2ccc(Cl)cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C48H50ClN7O8S/c49-36-6-4-34(5-7-36)40-11-8-37(55-22-26-63-27-23-55)28-35(40)32-53-18-20-54(21-19-53)38-9-12-42(47(29-38)64-46-3-1-2-43-41(46)14-17-50-43)48(57)52-65(60,61)39-10-13-44(45(30-39)56(58)59)51-31-33-15-24-62-25-16-33/h1-14,17,28-30,33,50-51H,15-16,18-27,31-32H2,(H,52,57)
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Similars

US Patent
3.97n/an/an/an/an/an/an/an/a



AbbVie Inc

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178633
PNG
(US9125913, 198)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ccc12)N1CCN(Cc2cc(ccc2-c2ccc(Cl)cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C48H50ClN7O8S/c49-36-6-4-34(5-7-36)40-11-8-37(55-22-26-63-27-23-55)28-35(40)32-53-18-20-54(21-19-53)38-9-12-42(47(29-38)64-46-3-1-2-43-41(46)14-17-50-43)48(57)52-65(60,61)39-10-13-44(45(30-39)56(58)59)51-31-33-15-24-62-25-16-33/h1-14,17,28-30,33,50-51H,15-16,18-27,31-32H2,(H,52,57)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
>660n/an/an/an/an/an/an/an/a



AbbVie Inc

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair