BDBM50084718 (3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-hydroxy-1-methyl-piperidin-3-yl]-methanone::CHEMBL120490

SMILES: CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NQHSMRHMUBKGPZ-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50084718   

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 (Homo sapiens (Human))	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.9	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 to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	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 was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	177	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 Compound was tested for Inhibition of [3H]-NE Uptake in rat parietal/occipital cortex				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084718 ((3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-h...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.38E+3	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 Compound was tested for Inhibition of [3H]-5-HT Uptake in rat mid brain.				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair