BindingDB PrimarySearch

null

SMILES: CN[C@@H](C)Cc1ccc2OCOc2c1

InChI Key: InChIKey=SHXWCVYOXRDMCX-QMMMGPOBSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 85332
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP K_i Database									Mol Pharmacol 63: 1223-9 (2003) Article DOI: 10.1124/mol.63.6.1223 BindingDB Entry DOI: 10.7270/Q2FN14SJ
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP K_i Database									Mol Pharmacol 63: 1223-9 (2003) Article DOI: 10.1124/mol.63.6.1223 BindingDB Entry DOI: 10.7270/Q2FN14SJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP K_i Database									Mol Pharmacol 63: 1223-9 (2003) Article DOI: 10.1124/mol.63.6.1223 BindingDB Entry DOI: 10.7270/Q2FN14SJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP K_i Database									Mol Pharmacol 63: 1223-9 (2003) Article DOI: 10.1124/mol.63.6.1223 BindingDB Entry DOI: 10.7270/Q2FN14SJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
University of Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit high affinity uptake of [3H]DA into rat striatal membrane				J Med Chem 60: 2605-2628 (2017) Article DOI: 10.1021/acs.jmedchem.7b00085 BindingDB Entry DOI: 10.7270/Q2DJ5HWM
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs by liquid scintillation spectrometri...				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
University of Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Macaca mulatta)	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.37E+4	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method				J Med Chem 60: 2605-2628 (2017) Article DOI: 10.1021/acs.jmedchem.7b00085 BindingDB Entry DOI: 10.7270/Q2DJ5HWM
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	142	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells				J Med Chem 60: 2605-2628 (2017) Article DOI: 10.1021/acs.jmedchem.7b00085 BindingDB Entry DOI: 10.7270/Q2DJ5HWM
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair