BindingDB PrimarySearch

BDBM94503 2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)-4-piperidinyl]-N-phenylpropanamide::2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide::MLS002320668::N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenyl-propanamide;2-oxidanylpropane-1,2,3-tricarboxylic acid::SMR001338814::SUFENTANIL::Sufentanil citrate::Sufentanyl::cid_65494::citric acid;N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidyl]-N-phenyl-propionamide

SMILES: CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1

InChI Key: InChIKey=GGCSSNBKKAUURC-UHFFFAOYSA-N

Data: 6 KI 6 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 94503
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]nalotrexone from rat-brain Opioid receptors				J Med Chem 25: 913-9 (1982) Article DOI: 10.1021/jm00350a006 BindingDB Entry DOI: 10.7270/Q2CF9S9G
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Perilipin-1 (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF
					More data for this Ligand-Target Pair
Perilipin-5 (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells				Anesthesiology 96: 913-20 (2002) Article DOI: 10.1097/00000542-200204000-00019 BindingDB Entry DOI: 10.7270/Q27D2WDT
Vanderbilt University Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Medicine Greifswald Curated by ChEMBL					Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis				J Med Chem 62: 9890-9905 (2019) Article DOI: 10.1021/acs.jmedchem.9b01301
University Medicine Greifswald Curated by ChEMBL					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by PDSP K_i Database									J Pharmacol Exp Ther 272: 423-8 (1995) BindingDB Entry DOI: 10.7270/Q2TM78M9
University of Pennsylvania Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by PDSP K_i Database									Mol Pharmacol 45: 330-4 (1994) BindingDB Entry DOI: 10.7270/Q21Z42X1
University of Pennsylvania Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membranes after 1 hr by [35S]-GTPgammaS binding assay				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in human U2OS cells co-transfected with beta-arrestin-2 assessed as increase in beta-arrestin-...				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) Article DOI: 10.1021/jm00172a032 BindingDB Entry DOI: 10.7270/Q2X34WF4
Anaquest Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by PDSP K_i Database									Mol Pharmacol 45: 330-4 (1994) BindingDB Entry DOI: 10.7270/Q21Z42X1
University of Pennsylvania Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by PDSP K_i Database									Mol Pharmacol 45: 330-4 (1994) BindingDB Entry DOI: 10.7270/Q21Z42X1
University of Pennsylvania Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates				J Med Chem 32: 968-74 (1989) Article DOI: 10.1021/jm00125a008 BindingDB Entry DOI: 10.7270/Q2XG9TBN
Anaquest Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair