Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'leclercq' and Initial = 'k'   

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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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
Solute carrier family 12 member 5 (Rattus norvegicus)	BDBM50315352 (CHEMBL1088880 | benzyl 1-acetyl-2-ethylpyrrolidine...) Show SMILES CCC1(CCCN1C(C)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C16H21NO3/c1-3-16(10-7-11-17(16)13(2)18)15(19)20-12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+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)	BDBM50315378 (1-acetyl-N,2-dibenzylpyrrolidine-2-carboxamide | C...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H24N2O2/c1-17(24)23-14-8-13-21(23,15-18-9-4-2-5-10-18)20(25)22-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	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)	BDBM50315370 (CHEMBL1090184 | benzyl 2-benzylpyrrolidine-2-carbo...) Show SMILES O=C(OCc1ccccc1)C1(Cc2ccccc2)CCCN1 Show InChI InChI=1S/C19H21NO2/c21-18(22-15-17-10-5-2-6-11-17)19(12-7-13-20-19)14-16-8-3-1-4-9-16/h1-6,8-11,20H,7,12-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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)	BDBM50315371 (CHEMBL1090185 | benzyl 2-benzyl-1-ethylpyrrolidine...) Show SMILES CCN1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-2-22-15-9-14-21(22,16-18-10-5-3-6-11-18)20(23)24-17-19-12-7-4-8-13-19/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	>1.00E+5	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)	BDBM50315391 (4-(methylsulfonyl)benzyl 1-acetyl-2-benzylpyrrolid...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,15-18-7-4-3-5-8-18)21(25)28-16-19-9-11-20(12-10-19)29(2,26)27/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	>1.00E+5	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)	BDBM50315381 (CHEMBL1092326 | methyl 1-acetyl-2-benzylpyrrolidin...) Show SMILES COC(=O)C1(Cc2ccccc2)CCCN1C(C)=O Show InChI InChI=1S/C15H19NO3/c1-12(17)16-10-6-9-15(16,14(18)19-2)11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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)	BDBM50315380 (1-acetyl-2-benzylpyrrolidine-2-carboxylic acid | C...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C14H17NO3/c1-11(16)15-9-5-8-14(15,13(17)18)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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)	BDBM50315385 (CHEMBL1089192 | pyridin-4-ylmethyl 1-acetyl-2-benz...) Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccncc1 Show InChI InChI=1S/C20H22N2O3/c1-16(23)22-13-5-10-20(22,14-17-6-3-2-4-7-17)19(24)25-15-18-8-11-21-12-9-18/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	>1.00E+5	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