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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  2 EC50

PDB links: 2 PDB IDs match this monomer.

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 15 hits for monomerid = 50325274   
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
Carbonic anhydrase 15


(Mus musculus)
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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390n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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890n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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1.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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4.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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4.35E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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8.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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9.47E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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9.53E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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9.82E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 20: 5050-3 (2010)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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PCBioAssay
n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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PCBioAssay
n/an/an/an/a 9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)

More data for this
Ligand-Target Pair