BDBM86238 CAS_3050061::MDA,S(+)::NSC_3050061

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

InChI Key: InChIKey=NGBBVGZWCFBOGO-ZETCQYMHSA-N

Data: 4 KI  4 EC50

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 8 hits for monomerid = 86238   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Norepinephrine transporter (RAT)	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki 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))	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki 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))	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki 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 serotonin transporter (Rattus norvegicus (rat))	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki 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 serotonin transporter (Rattus norvegicus (rat))	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	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
					More data for this Ligand-Target Pair
trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.57E+3	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
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Macaca mulatta)	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.35E+3	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
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM86238 (CAS_3050061 | MDA,S(+) | NSC_3050061) Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	98	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at DAT in rat synaptosomes assessed as release of [3H]DA 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
					More data for this Ligand-Target Pair