BDBM50007525 CHEMBL123282::N-(1-Benzyl-piperidin-4-yl)-2,3-dimethoxy-benzamide

SMILES: COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC

InChI Key: InChIKey=CFOLDWHTVLAWTI-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 50007525   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue				J Med Chem 36: 3707-20 (1994) BindingDB Entry DOI: 10.7270/Q2MK6DH1
					More data for this Ligand-Target Pair
GABA transporter 1 (Homo sapiens (Human))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
Betaine transporter (Homo sapiens (Human))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
GABA transporter 3 (Homo sapiens (Human))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human GAT3 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
GABA transporter 2 (Homo sapiens (Human))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human GAT2 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair
Betaine transporter (Homo sapiens (Human))	BDBM50007525 (CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...) Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
					More data for this Ligand-Target Pair