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BDBM50181870 CHEMBL380433::N-[4'-(3-dimethylaminopropyl)-2'-methoxybiphenyl-4-carbonyl]-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

SMILES: COc1cc(CCCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=QJXYANOGESSWIK-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50181870   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50181870
PNG
(CHEMBL380433 | N-[4'-(3-dimethylaminopropyl)-2'-me...)
Show SMILES COc1cc(CCCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H36N4O6S2/c1-36(2)20-7-8-24-11-17-29(32(22-24)43-3)25-12-14-26(15-13-25)33(38)35-45(41,42)28-16-18-30(31(23-28)37(39)40)34-19-21-44-27-9-5-4-6-10-27/h4-6,9-18,22-23,34H,7-8,19-21H2,1-3H3,(H,35,38)
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106n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50181870
PNG
(CHEMBL380433 | N-[4'-(3-dimethylaminopropyl)-2'-me...)
Show SMILES COc1cc(CCCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H36N4O6S2/c1-36(2)20-7-8-24-11-17-29(32(22-24)43-3)25-12-14-26(15-13-25)33(38)35-45(41,42)28-16-18-30(31(23-28)37(39)40)34-19-21-44-27-9-5-4-6-10-27/h4-6,9-18,22-23,34H,7-8,19-21H2,1-3H3,(H,35,38)
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730n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50181870
PNG
(CHEMBL380433 | N-[4'-(3-dimethylaminopropyl)-2'-me...)
Show SMILES COc1cc(CCCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H36N4O6S2/c1-36(2)20-7-8-24-11-17-29(32(22-24)43-3)25-12-14-26(15-13-25)33(38)35-45(41,42)28-16-18-30(31(23-28)37(39)40)34-19-21-44-27-9-5-4-6-10-27/h4-6,9-18,22-23,34H,7-8,19-21H2,1-3H3,(H,35,38)
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1.23E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl2 by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50181870
PNG
(CHEMBL380433 | N-[4'-(3-dimethylaminopropyl)-2'-me...)
Show SMILES COc1cc(CCCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H36N4O6S2/c1-36(2)20-7-8-24-11-17-29(32(22-24)43-3)25-12-14-26(15-13-25)33(38)35-45(41,42)28-16-18-30(31(23-28)37(39)40)34-19-21-44-27-9-5-4-6-10-27/h4-6,9-18,22-23,34H,7-8,19-21H2,1-3H3,(H,35,38)
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5.66E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL in 10% human serum by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair