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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315368
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315367
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315366
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315362
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315359
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384300
PNG
(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384302
PNG
(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315365
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384298
PNG
(CHEMBL2030659)
Show SMILES CC(=O)N1CCC[C@@]1(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/t21-/m1/s1
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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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384301
PNG
(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315363
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315360
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315376
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315361
PNG
((+)-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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315373
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315357
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384307
PNG
(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315358
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315355
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315356
PNG
(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315389
PNG
(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
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n/an/a 790n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-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
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n/an/a 800n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384305
PNG
(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
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n/an/a 1.00E+3n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315353
PNG
(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
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n/an/a 1.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315361
PNG
((+)-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
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n/an/a 1.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315375
PNG
(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
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n/an/a 1.20E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315388
PNG
(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
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n/an/a 1.30E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384304
PNG
(CHEMBL2030665)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C1=N[C@@H](CO1)c1ccccc1
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
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n/an/a 1.30E+3n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315372
PNG
(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
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n/an/a 1.60E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315354
PNG
(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
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n/an/a 2.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315374
PNG
(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)
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n/an/a 2.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315387
PNG
(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
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n/an/a 2.50E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315377
PNG
(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
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n/an/a 4.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384306
PNG
(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
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n/an/a 4.00E+3n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315382
PNG
(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
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n/an/a 4.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315369
PNG
(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
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n/an/a 4.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315390
PNG
(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
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n/an/a 5.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315364
PNG
(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
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n/an/a 5.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315386
PNG
(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
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n/an/a 6.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315351
PNG
(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
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n/an/a 8.00E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315383
PNG
(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
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n/an/a 1.00E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384308
PNG
(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
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n/an/a 1.26E+4n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384303
PNG
(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
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n/an/a 2.00E+4n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315379
PNG
(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
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n/an/a 3.20E+4n/an/an/an/an/an/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...


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More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315361
PNG
((+)-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
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n/an/a 4.00E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-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
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n/an/a 5.00E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384299
PNG
(CHEMBL2030660)
Show SMILES CC(=O)N1CCC[C@]1(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/t21-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315384
PNG
(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
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PubMed
n/an/a 6.30E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
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