BDBM50325274 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol::4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol(Dobutamine)::CHEMBL926::DOBUTAMINE::Dobutrex::cid_36811

SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1

InChI Key InChIKey=JRWZLRBJNMZMFE-UHFFFAOYSA-N

Data  13 KI  3 IC50  2 EC50

PDB links: 4 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 18 hits for monomerid = 50325274   

Target5-hydroxytryptamine receptor 2A(Mouse)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataEC50:  7.61E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataIC50: 4.17E+3nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataEC50:  9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetCarbonic anhydrase 15(Mouse)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  390nMAssay Description:Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  480nMAssay Description:Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  730nMAssay Description:Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 5B, mitochondrial(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  890nMAssay Description:Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  1.92E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  4.35E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 3(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  7.40E+3nMAssay Description:Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  8.98E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 6(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  9.47E+3nMAssay Description:Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 13(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  9.53E+3nMAssay Description:Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  9.82E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 14(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50325274(Dobutrex | 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-pro...)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed