BindingDB PrimarySearch

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SMILES: CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12

InChI Key: InChIKey=YVKDUIAAPBKHMJ-MUMRKEEXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50014237
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 dopamine transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for serotonin(5-HT) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for serotonin(5-HT) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for serotonin(5-HT) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for serotonin(5-HT) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	36.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for norepinephrine (NE) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50014237 (6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	23.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4
McNeil Pharmaceutical Curated by ChEMBL					More data for this Ligand-Target Pair