BDBM50327157 (R)-methyl 2-(3,4-dichlorophenyl)-2-((R)-piperidin-2-yl)acetate::CHEMBL1179011

SMILES: COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JUKMAYKVHWKRKY-CHWSQXEVSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50327157   

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))	BDBM50327157 ((R)-methyl 2-(3,4-dichlorophenyl)-2-((R)-piperidin...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50327157 ((R)-methyl 2-(3,4-dichlorophenyl)-2-((R)-piperidin...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine receptor in rat striatal membranes				Bioorg Med Chem Lett 14: 1799-802 (2004) Article DOI: 10.1016/j.bmcl.2003.12.097 BindingDB Entry DOI: 10.7270/Q2T43SJ8
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50327157 ((R)-methyl 2-(3,4-dichlorophenyl)-2-((R)-piperidin...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine transporter in rat striatal membranes				Bioorg Med Chem Lett 14: 1799-802 (2004) Article DOI: 10.1016/j.bmcl.2003.12.097 BindingDB Entry DOI: 10.7270/Q2T43SJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50327157 ((R)-methyl 2-(3,4-dichlorophenyl)-2-((R)-piperidin...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 7221-38 (2010) Article DOI: 10.1016/j.bmc.2010.08.034 BindingDB Entry DOI: 10.7270/Q24F1QZZ
					More data for this Ligand-Target Pair