BDBM50068479 (2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane::CHEMBL421777

SMILES: CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1

InChI Key: InChIKey=YJWQTICONBXOHT-JGUMPVPUSA-N

Data: 4 KI  4 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 8 hits for monomerid = 50068479   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibitory activity on dopamine transporters of rat striated membranes using [3H]- mazindol.				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibitory activity against Serotonin transporter was determined for [3H]5-HT (serotonin) uptake by striated synaptosomes				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibitory activity determined for [3H]DA (Dopamine transporter) uptake by striated synaptosomes				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50068479 ((2S,3R,5R)-8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyc...) Show SMILES CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibitory activity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine				J Med Chem 41: 4973-82 (1999) Article DOI: 10.1021/jm9802564 BindingDB Entry DOI: 10.7270/Q29S1RQ7
					More data for this Ligand-Target Pair