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SMILES: CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1

InChI Key: InChIKey=DQDLEPZVHJFUCX-UONOGXRCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50099304   

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
Transporter (Rattus norvegicus)	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	31	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 Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	200	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 Inhibition of [3H]DA uptake at Dopamine transporter in rat cortex.				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	230	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 Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	641	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 100 nM with cocaine				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099304 (CHEMBL275541 | [(3S,4R)-4-(4-Chloro-phenyl)-1-meth...) Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1 Show InChI InChI=1S/C16H16ClNOS/c1-18-9-13(11-4-6-12(17)7-5-11)14(10-18)16(19)15-3-2-8-20-15/h2-8,13-14H,9-10H2,1H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 30 nM with cocaine				Bioorg Med Chem Lett 11: 1113-8 (2001) BindingDB Entry DOI: 10.7270/Q24M952F
					More data for this Ligand-Target Pair