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BDBM50029764 1,1'-sulfonylbis(4-aminobenzene)::4,4'-Sulfonylbisbenzenamine::4,4'-dapsone::4,4'-diaminodiphenyl sulfone::4,4'-sulfonylbisaniline::4,4'-sulfonyldianiline::4-aminophenyl sulfone::Bis(p-aminophenyl) sulfone::CHEMBL1043::DADPS::DAPSONE::DDS::Diaphenylsulfone::p,p'-diaminodiphenyl sulfone::p,p-sulphonylbisbenzamine::p,p-sulphonylbisbenzenamine::p-aminophenyl sulfone

SMILES: Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=MQJKPEGWNLWLTK-UHFFFAOYSA-N

Data: 1 KI  10 IC50

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 11 hits for monomerid = 50029764   
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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PubMed
183n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute (CDRI)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as 5-HT-induced intracellular cAMP production after 30 min...


Bioorg Med Chem 21: 4614-27 (2013)


BindingDB Entry DOI: 10.7270/Q2DJ5JK0
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair
Dihydropteroate synthetase, putative


(Plasmodium berghei str. ANKA)
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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n/an/a 1.24E+4n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei


J Med Chem 47: 240-53 (2003)


Article DOI: 10.1021/jm030931w
BindingDB Entry DOI: 10.7270/Q2DB831H
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
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PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
PDB
MMDB

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against dihydrofolate reductase in Pneumocystis carinii .


J Med Chem 38: 4739-59 (1996)


Article DOI: 10.1021/jm00024a001
BindingDB Entry DOI: 10.7270/Q26D5S01
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50029764
PNG
(1,1'-sulfonylbis(4-aminobenzene) | 4,4'-Sulfonylbi...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
PDB

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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair