BDBM50250282 CHEMBL4075412

SMILES: CC(C)(C)OC(=O)CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=LRTVSKFAYLWSJR-UHFFFAOYSA-N

Data: 4 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 = 50250282   

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
Betaine transporter (Homo sapiens (Human))	BDBM50250282 (CHEMBL4075412) Show SMILES CC(C)(C)OC(=O)CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H24Cl2N2O3/c1-18(2,3)25-16(23)11-22-8-6-13(7-9-22)21-17(24)14-5-4-12(19)10-15(14)20/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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 1 (Homo sapiens (Human))	BDBM50250282 (CHEMBL4075412) Show SMILES CC(C)(C)OC(=O)CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H24Cl2N2O3/c1-18(2,3)25-16(23)11-22-8-6-13(7-9-22)21-17(24)14-5-4-12(19)10-15(14)20/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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
GABA transporter 3 (Homo sapiens (Human))	BDBM50250282 (CHEMBL4075412) Show SMILES CC(C)(C)OC(=O)CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H24Cl2N2O3/c1-18(2,3)25-16(23)11-22-8-6-13(7-9-22)21-17(24)14-5-4-12(19)10-15(14)20/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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))	BDBM50250282 (CHEMBL4075412) Show SMILES CC(C)(C)OC(=O)CN1CCC(CC1)NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H24Cl2N2O3/c1-18(2,3)25-16(23)11-22-8-6-13(7-9-22)21-17(24)14-5-4-12(19)10-15(14)20/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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