Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'meunier' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315368 (CHEMBL1090182 | benzyl 1-acetyl-2-(4-methoxy-3-(tr...) Show SMILES COc1ccc(CC2(CCCN2C(C)=O)C(=O)OCc2ccccc2)cc1C(F)(F)F Show InChI InChI=1S/C23H24F3NO4/c1-16(28)27-12-6-11-22(27,21(29)31-15-17-7-4-3-5-8-17)14-18-9-10-20(30-2)19(13-18)23(24,25)26/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315367 (CHEMBL1089847 | benzyl 1-acetyl-2-(4-fluoro-3-(tri...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H21F4NO3/c1-15(28)27-11-5-10-21(27,20(29)30-14-16-6-3-2-4-7-16)13-17-8-9-19(23)18(12-17)22(24,25)26/h2-4,6-9,12H,5,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315366 (CHEMBL1092661 | benzyl 1-acetyl-2-(3-(trifluoromet...) Show SMILES CC(=O)N1CCCC1(Cc1cccc(c1)C(F)(F)F)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22F3NO3/c1-16(27)26-12-6-11-21(26,20(28)29-15-17-7-3-2-4-8-17)14-18-9-5-10-19(13-18)22(23,24)25/h2-5,7-10,13H,6,11-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315362 (CHEMBL1092325 | benzyl 1-acetyl-2-(4-cyanobenzyl)p...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)C#N)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22N2O3/c1-17(25)24-13-5-12-22(24,14-18-8-10-19(15-23)11-9-18)21(26)27-16-20-6-3-2-4-7-20/h2-4,6-11H,5,12-14,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384300 (CHEMBL2030661) Show SMILES CC(=O)N1c2ccccc2CC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C25H23NO3/c1-19(27)26-23-15-9-8-14-22(23)17-25(26,16-20-10-4-2-5-11-20)24(28)29-18-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315359 (CHEMBL1092255 | benzyl 1-acetyl-2-(4-fluorobenzyl)...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(F)cc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H22FNO3/c1-16(24)23-13-5-12-21(23,14-17-8-10-19(22)11-9-17)20(25)26-15-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384302 (CHEMBL2030663) Show SMILES CC(=O)N1CCCC1(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1 Show InChI InChI=1S/C22H23F2NO2/c1-16(26)25-14-2-13-22(25,15-18-5-10-20(24)11-6-18)21(27)12-7-17-3-8-19(23)9-4-17/h3-6,8-11H,2,7,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315365 (CHEMBL1092338 | benzyl 1-acetyl-2-(3-(methylsulfon...) Show SMILES CC(=O)N1CCCC1(Cc1cccc(c1)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-13-7-12-22(23,21(25)28-16-18-8-4-3-5-9-18)15-19-10-6-11-20(14-19)29(2,26)27/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384298 (CHEMBL2030659) Show SMILES CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384301 (CHEMBL2030662) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C22H25NO2/c1-18(24)23-16-8-15-22(23,17-20-11-6-3-7-12-20)21(25)14-13-19-9-4-2-5-10-19/h2-7,9-12H,8,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315350 ((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315360 (CHEMBL1092256 | benzyl 1-acetyl-2-(4-chlorobenzyl)...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H22ClNO3/c1-16(24)23-13-5-12-21(23,14-17-8-10-19(22)11-9-17)20(25)26-15-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315376 (CHEMBL1093303 | benzyl 2-benzyl-1-(cyclopropanecar...) Show SMILES O=C(C1CC1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C23H25NO3/c25-21(20-12-13-20)24-15-7-14-23(24,16-18-8-3-1-4-9-18)22(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315363 (CHEMBL1092336 | benzyl 1-acetyl-2-(3-cyanobenzyl)p...) Show SMILES CC(=O)N1CCCC1(Cc1cccc(c1)C#N)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22N2O3/c1-17(25)24-12-6-11-22(24,14-19-9-5-10-20(13-19)15-23)21(26)27-16-18-7-3-2-4-8-18/h2-5,7-10,13H,6,11-12,14,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315361 ((+)-benzyl 1-acetyl-2-(4-(methylsulfonyl)benzyl)py...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,21(25)28-16-19-7-4-3-5-8-19)15-18-9-11-20(12-10-18)29(2,26)27/h3-5,7-12H,6,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315357 (CHEMBL1091212 | benzyl 1-acetyl-2-(4-methoxybenzyl...) Show SMILES COc1ccc(CC2(CCCN2C(C)=O)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C22H25NO4/c1-17(24)23-14-6-13-22(23,15-18-9-11-20(26-2)12-10-18)21(25)27-16-19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315373 (2-benzyl 1-methyl 2-benzylpyrrolidine-1,2-dicarbox...) Show SMILES COC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H23NO4/c1-25-20(24)22-14-8-13-21(22,15-17-9-4-2-5-10-17)19(23)26-16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384307 (CHEMBL2030669) Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H19BrN2O3/c22-17-6-7-19-16(12-17)13-18(21(26)27-19)20(25)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315358 (CHEMBL1091213 | benzyl 1-acetyl-2-(4-(trifluoromet...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22F3NO3/c1-16(27)26-13-5-12-21(26,20(28)29-15-18-6-3-2-4-7-18)14-17-8-10-19(11-9-17)22(23,24)25/h2-4,6-11H,5,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315350 ((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315356 (CHEMBL1091211 | benzyl 1-acetyl-2-(4-methylbenzyl)...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(C)cc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO3/c1-17-9-11-19(12-10-17)15-22(13-6-14-23(22)18(2)24)21(25)26-16-20-7-4-3-5-8-20/h3-5,7-12H,6,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315355 (CHEMBL1090196 | benzyl 1-acetyl-2-(thiophen-3-ylme...) Show SMILES CC(=O)N1CCCC1(Cc1ccsc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21NO3S/c1-15(21)20-10-5-9-19(20,12-17-8-11-24-14-17)18(22)23-13-16-6-3-2-4-7-16/h2-4,6-8,11,14H,5,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315350 ((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315389 (4-methylbenzyl 1-acetyl-2-benzylpyrrolidine-2-carb...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(C)cc1 Show InChI InChI=1S/C22H25NO3/c1-17-9-11-20(12-10-17)16-26-21(25)22(13-6-14-23(22)18(2)24)15-19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315350 ((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315361 ((+)-benzyl 1-acetyl-2-(4-(methylsulfonyl)benzyl)py...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,21(25)28-16-19-7-4-3-5-8-19)15-18-9-11-20(12-10-18)29(2,26)27/h3-5,7-12H,6,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315361 ((+)-benzyl 1-acetyl-2-(4-(methylsulfonyl)benzyl)py...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,21(25)28-16-19-7-4-3-5-8-19)15-18-9-11-20(12-10-18)29(2,26)27/h3-5,7-12H,6,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315353 (CHEMBL1088881 | benzyl 1-acetyl-2-(cyclohexylmethy...) Show SMILES CC(=O)N1CCCC1(CC1CCCCC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H29NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h3,6-7,11-12,18H,2,4-5,8-10,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384305 (CHEMBL2030667) Show SMILES O=C(OCc1ccccc1)C1(Cc2ccccc2)CCC2CCCC(=O)N12 Show InChI InChI=1S/C23H25NO3/c25-21-13-7-12-20-14-15-23(24(20)21,16-18-8-3-1-4-9-18)22(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315375 (CHEMBL1088923 | benzyl 2-benzyl-1-propionylpyrroli...) Show SMILES CCC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO3/c1-2-20(24)23-15-9-14-22(23,16-18-10-5-3-6-11-18)21(25)26-17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315388 (4-chlorobenzyl 1-acetyl-2-benzylpyrrolidine-2-carb...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClNO3/c1-16(24)23-13-5-12-21(23,14-17-6-3-2-4-7-17)20(25)26-15-18-8-10-19(22)11-9-18/h2-4,6-11H,5,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384304 (CHEMBL2030665) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C1=N[C@@H](CO1)c1ccccc1 |r,t:17| Show InChI InChI=1S/C22H24N2O2/c1-17(25)24-14-8-13-22(24,15-18-9-4-2-5-10-18)21-23-20(16-26-21)19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-16H2,1H3/t20-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315372 (CHEMBL1088917 | benzyl 2-benzyl-1-(methylsulfonyl)...) Show SMILES CS(=O)(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H23NO4S/c1-26(23,24)21-14-8-13-20(21,15-17-9-4-2-5-10-17)19(22)25-16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315374 (CHEMBL1088922 | benzyl 2-benzyl-1-(ethylcarbamoyl)...) Show SMILES CCNC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H26N2O3/c1-2-23-21(26)24-15-9-14-22(24,16-18-10-5-3-6-11-18)20(25)27-17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315354 (CHEMBL1090195 | benzyl 1-acetyl-2-(pyridin-4-ylmet...) Show SMILES CC(=O)N1CCCC1(Cc1ccncc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H22N2O3/c1-16(23)22-13-5-10-20(22,14-17-8-11-21-12-9-17)19(24)25-15-18-6-3-2-4-7-18/h2-4,6-9,11-12H,5,10,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315387 (3-chlorobenzyl 1-acetyl-2-benzylpyrrolidine-2-carb...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1cccc(Cl)c1 Show InChI InChI=1S/C21H22ClNO3/c1-16(24)23-12-6-11-21(23,14-17-7-3-2-4-8-17)20(25)26-15-18-9-5-10-19(22)13-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315382 (1-phenylethyl 1-acetyl-2-benzylpyrrolidine-2-carbo...) Show SMILES CC(OC(=O)C1(Cc2ccccc2)CCCN1C(C)=O)c1ccccc1 Show InChI InChI=1S/C22H25NO3/c1-17(20-12-7-4-8-13-20)26-21(25)22(14-9-15-23(22)18(2)24)16-19-10-5-3-6-11-19/h3-8,10-13,17H,9,14-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315377 (CHEMBL1092317 | benzyl 1-benzoyl-2-benzylpyrrolidi...) Show SMILES O=C(OCc1ccccc1)C1(Cc2ccccc2)CCCN1C(=O)c1ccccc1 Show InChI InChI=1S/C26H25NO3/c28-24(23-15-8-3-9-16-23)27-18-10-17-26(27,19-21-11-4-1-5-12-21)25(29)30-20-22-13-6-2-7-14-22/h1-9,11-16H,10,17-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315369 (CHEMBL1090183 | benzyl 1-acetyl-2-(4-fluoro-2-(tri...) Show SMILES CC(=O)N1CCCC1(Cc1ccc(F)cc1C(F)(F)F)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H21F4NO3/c1-15(28)27-11-5-10-21(27,20(29)30-14-16-6-3-2-4-7-16)13-17-8-9-18(23)12-19(17)22(24,25)26/h2-4,6-9,12H,5,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384306 (CHEMBL2030668) Show SMILES O=C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C21H20N2O3/c24-20(18-14-17-8-4-5-9-19(17)26-21(18)25)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315364 (CHEMBL1092337 | benzyl 1-acetyl-2-(2-cyanobenzyl)p...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1C#N)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22N2O3/c1-17(25)24-13-7-12-22(24,14-19-10-5-6-11-20(19)15-23)21(26)27-16-18-8-3-2-4-9-18/h2-6,8-11H,7,12-14,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315390 (4-(trifluoromethyl)benzyl 1-acetyl-2-benzylpyrroli...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H22F3NO3/c1-16(27)26-13-5-12-21(26,14-17-6-3-2-4-7-17)20(28)29-15-18-8-10-19(11-9-18)22(23,24)25/h2-4,6-11H,5,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315386 (2-chlorobenzyl 1-acetyl-2-benzylpyrrolidine-2-carb...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1Cl Show InChI InChI=1S/C21H22ClNO3/c1-16(24)23-13-7-12-21(23,14-17-8-3-2-4-9-17)20(25)26-15-18-10-5-6-11-19(18)22/h2-6,8-11H,7,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315351 (CHEMBL1088879 | benzyl 1-acetyl-2-phenethylpyrroli...) Show SMILES CC(=O)N1CCCC1(CCc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO3/c1-18(24)23-16-8-14-22(23,15-13-19-9-4-2-5-10-19)21(25)26-17-20-11-6-3-7-12-20/h2-7,9-12H,8,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315383 (CHEMBL1089178 | phenethyl 1-acetyl-2-benzylpyrroli...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCCc1ccccc1 Show InChI InChI=1S/C22H25NO3/c1-18(24)23-15-8-14-22(23,17-20-11-6-3-7-12-20)21(25)26-16-13-19-9-4-2-5-10-19/h2-7,9-12H,8,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384308 (CHEMBL2030666) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)c1nc(co1)-c1ccccc1 Show InChI InChI=1S/C22H22N2O2/c1-17(25)24-14-8-13-22(24,15-18-9-4-2-5-10-18)21-23-20(16-26-21)19-11-6-3-7-12-19/h2-7,9-12,16H,8,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384303 (CHEMBL2030664) Show SMILES CC(=O)N1CCCC1(COCc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-18(23)22-14-8-13-21(22,15-19-9-4-2-5-10-19)17-24-16-20-11-6-3-7-12-20/h2-7,9-12H,8,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315379 (1-acetyl-N,2-dibenzyl-N-methylpyrrolidine-2-carbox...) Show SMILES CN(Cc1ccccc1)C(=O)C1(Cc2ccccc2)CCCN1C(C)=O Show InChI InChI=1S/C22H26N2O2/c1-18(25)24-15-9-14-22(24,16-19-10-5-3-6-11-19)21(26)23(2)17-20-12-7-4-8-13-20/h3-8,10-13H,9,14-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50384299 (CHEMBL2030660) Show SMILES CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis				Bioorg Med Chem Lett 22: 3978-82 (2012) Article DOI: 10.1016/j.bmcl.2012.04.097 BindingDB Entry DOI: 10.7270/Q27P90FX
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315384 (CHEMBL1089191 | cyclohexylmethyl 1-acetyl-2-benzyl...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCC1CCCCC1 Show InChI InChI=1S/C21H29NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2,4-5,9-10,19H,3,6-8,11-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...				Bioorg Med Chem Lett 20: 2542-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.092 BindingDB Entry DOI: 10.7270/Q2BZ665C
					More data for this Ligand-Target Pair

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