BDBM25903 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid::Bumetanide::Bumex::Burinex::Fordiuran::cid_2471

SMILES CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O

InChI Key InChIKey=MAEIEVLCKWDQJH-UHFFFAOYSA-N

Data  13 KI  5 IC50  2 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 25903   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  21.1nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  25.8nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  62nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  159nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  250nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  303nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  700nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  2.57E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  3.89E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  4.93E+3nM ΔG°:  -7.24kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 6(Rattus norvegicus)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  5.50E+3nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi:  6.98E+3nM ΔG°:  -7.03kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataKi: >2.00E+5nM ΔG°: >-5.04kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataEC50:  0.0469nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssayDrugBank

TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataEC50:  1.08nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssayDrugBank

TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataIC50: >1.33E+5nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataIC50:  5.26E+5nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in ratsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Affinity DataIC50: >1.33E+5nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed