BindingDB PrimarySearch

BDBM50058046 CHEMBL526::PROPOFOL::propofol

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

InChI Key: InChIKey=OLBCVFGFOZPWHH-UHFFFAOYSA-N

Data: 2 KI 5 IC50 8 EC50

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50058046
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V
Ataturk University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V
Ataturk University Curated by ChEMBL					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
Organon Research and Development Group 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) Article DOI: 10.1021/jm010903i BindingDB Entry DOI: 10.7270/Q2KW5GRD
Organon Research and Development Group Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
Organon Research and Development Group 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) Article DOI: 10.1021/jm010903i BindingDB Entry DOI: 10.7270/Q2KW5GRD
Organon Research and Development Group Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-2/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm049120y BindingDB Entry DOI: 10.7270/Q2VH5PMS
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibitory concentration against fatty acid amide hydrolase				J Med Chem 48: 5059-87 (2005) Article DOI: 10.1021/jm058183t BindingDB Entry DOI: 10.7270/Q2J96753
Universit£ Catholique de Louvain Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB MMDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of rat FAAH				J Med Chem 51: 7327-43 (2009) Article DOI: 10.1021/jm800311k BindingDB Entry DOI: 10.7270/Q2J67HT8
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm010461a BindingDB Entry DOI: 10.7270/Q2FN17DV
University of Chicago Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-A receptor; alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm010461a BindingDB Entry DOI: 10.7270/Q2FN17DV
University of Chicago Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA alpha1beta3gamma2L in HEK cell plasma membrane assessed as increase in [3H]muscimol binding measured after 10...				Eur J Med Chem 194: (2020)
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of [3H]azietomidate labelling of GABAA alpha1beta3gamma2L (unknown origin) expressed in Xenopus laevis oocytes assessed as reduction in ph...				Eur J Med Chem 194: (2020)
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of [3H]R-mTFD-MPAB labelling of GABAA alpha1beta3gamma2L (unknown origin) expressed in Xenopus laevis oocytes assessed as reduction in pho...				Eur J Med Chem 194: (2020)
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of [3H]pTFD-di-iPr-BnOH labelling of GABAA alpha1beta3gamma2L (unknown origin) expressed in Xenopus laevis oocytes assessed as reduction i...				Eur J Med Chem 194: (2020)
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-1/beta-1/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
Università degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA receptor alpha-1/beta-1/gamma-2 subunit (Homo sapiens (Human))	BDBM50058046 (CHEMBL526 \| PROPOFOL \| propofol) Show SMILES CC(C)c1cccc(C(C)C)c1O Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm970681h BindingDB Entry DOI: 10.7270/Q2ZC820Z
Università degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)