BDBM50526257 CHEMBL4555282

SMILES: Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1

InChI Key: InChIKey=MAYBNFYGNFINLF-RCIYGFKVSA-N

Data: 1 KI  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 5 hits for monomerid = 50526257   

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- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526257 (CHEMBL4555282) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50526257 (CHEMBL4555282) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT-4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50526257 (CHEMBL4555282) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT-2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50526257 (CHEMBL4555282) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT-3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526257 (CHEMBL4555282) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015
					More data for this Ligand-Target Pair