BDBM50147844 Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester::CHEMBL101431

SMILES: CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1

InChI Key: InChIKey=HJKKWIJTYBPLCJ-UKRRQHHQSA-N

Data: 3 KI  1 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 = 50147844   

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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50147844 (Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...) Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex				J Med Chem 47: 3009-18 (2004) Article DOI: 10.1021/jm0303296 BindingDB Entry DOI: 10.7270/Q23779GM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50147844 (Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...) Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	599	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum				J Med Chem 47: 3009-18 (2004) Article DOI: 10.1021/jm0303296 BindingDB Entry DOI: 10.7270/Q23779GM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50147844 (Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...) Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	901	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit high affinity uptake of [3H]-5-HT at Serotonin transporter (SERT) using rat midbrain				J Med Chem 47: 3009-18 (2004) Article DOI: 10.1021/jm0303296 BindingDB Entry DOI: 10.7270/Q23779GM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50147844 (Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...) Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes				J Med Chem 41: 1962-9 (1998) Article DOI: 10.1021/jm980028+ BindingDB Entry DOI: 10.7270/Q2QC0468
					More data for this Ligand-Target Pair