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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: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 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
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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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)

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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Article
PubMed
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)

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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Article
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 plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)

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
KEGG

UniProtKB/SwissProt

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CHEMBL
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KEGG
PC cid
PC sid
UniChem

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Article
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)

More data for this
Ligand-Target Pair