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BDBM50058046 CHEMBL526::PROPOFOL::propofol

SMILES: CC(C)c1cccc(C(C)C)c1O

InChI Key: InChIKey=OLBCVFGFOZPWHH-UHFFFAOYSA-N

Data: 2 KI  2 IC50  7 EC50

PDB links: 3 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 11 hits for monomerid = 50058046   
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 2


(Homo sapiens (human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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Article
PubMed
1.95E+4n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate


Bioorg Med Chem 17: 3207-11 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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9.89E+4n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate


Bioorg Med Chem 17: 3207-11 (2009)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 4.10E+3n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Chicago Medical Center

Curated by ChEMBL


Assay Description
Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2


J Med Chem 45: 3210-21 (2002)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 1.12E+4n/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expresse...


J Med Chem 48: 2638-45 (2005)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


J Med Chem 51: 7327-43 (2009)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Chicago Medical Center

Curated by ChEMBL


Assay Description
Direct activation of human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2


J Med Chem 45: 3210-21 (2002)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-1/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 8.00E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits


J Med Chem 41: 1846-54 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-1/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 4.40E+4n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Direct activation of chloride current in Xenopus laevis oocytes expressing human alpha-1beta1-gamma2 GABA-A receptor subunits


J Med Chem 41: 1846-54 (1998)

More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
PDB

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PubMed
n/an/an/an/a 5.00E+4n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-mimetic action on Oocytes expressing human alpha-1-beta-3-gamma-2L GABA-A receptor subunits at >=100 uM


J Med Chem 44: 3582-91 (2001)

More data for this
Ligand-Target Pair