BDBM50039990 (3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL2373962

SMILES: [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C

InChI Key: InChIKey=MMKZDDDDODERSJ-QVOMUQBLSA-N

Data: 2 KI  8 IC50

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 10 hits for monomerid = 50039990   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]mazindol binding to the dopamine transporter.				J Med Chem 35: 969-81 (1992) BindingDB Entry DOI: 10.7270/Q24T6K0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.				J Med Chem 34: 2719-25 (1991) BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat				J Med Chem 37: 2865-73 (1994) BindingDB Entry DOI: 10.7270/Q21C1XH0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at the dopamine transporter.				J Med Chem 35: 969-81 (1992) BindingDB Entry DOI: 10.7270/Q24T6K0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at dopamine transporter.				J Med Chem 35: 969-81 (1992) BindingDB Entry DOI: 10.7270/Q24T6K0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair