BDBM50069382 CHEMBL3403576

SMILES: CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO

InChI Key: InChIKey=CPIOVYMSTSCZGW-DENIHFKCSA-N

Data: 8 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 8 hits for monomerid = 50069382   

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
GABA transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
GABA transporter 1 (Rattus norvegicus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT3 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
GABA transporter 1 (Rattus norvegicus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT3 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM50069382 (CHEMBL3403576) Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...				Bioorg Med Chem 23: 2480-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.060 BindingDB Entry DOI: 10.7270/Q2KH0Q0R
					More data for this Ligand-Target Pair