BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1038 hits with Last Name = 'bialy' and Initial = 'l'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196843
PNG
(CHEMBL3904640)
Show SMILES N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(c(Cl)c1Cl)S(N)(=O)=O |r|
Show InChI InChI=1S/C20H21Cl4N3O3S/c21-10-6-13-12(14(22)7-10)8-15(27-5-1-2-11(25)9-27)20(13)30-16-3-4-17(31(26,28)29)19(24)18(16)23/h3-4,6-7,11,15,20H,1-2,5,8-9,25H2,(H2,26,28,29)/t11-,15+,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196811
PNG
(CHEMBL3967635)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCNCC2)c(Cl)c1 |r|
Show InChI InChI=1S/C21H23Cl3N2O3S/c1-30(27,28)14-3-4-20(18(24)11-14)29-21-16-9-13(22)10-17(23)15(16)12-19(21)26-7-2-5-25-6-8-26/h3-4,9-11,19,21,25H,2,5-8,12H2,1H3/t19-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196805
PNG
(CHEMBL3978001)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@H](C2)NCCO)cc1 |r|
Show InChI InChI=1S/C23H28Cl2N2O4S/c1-32(29,30)18-6-4-17(5-7-18)31-23-20-11-15(24)12-21(25)19(20)13-22(23)27-9-2-3-16(14-27)26-8-10-28/h4-7,11-12,16,22-23,26,28H,2-3,8-10,13-14H2,1H3/t16-,22+,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196812
PNG
(CHEMBL3946835)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@@H](N)C2)cc1 |r|
Show InChI InChI=1S/C21H24Cl2N2O3S/c1-29(26,27)16-6-4-15(5-7-16)28-21-18-9-13(22)10-19(23)17(18)11-20(21)25-8-2-3-14(24)12-25/h4-7,9-10,14,20-21H,2-3,8,11-12,24H2,1H3/t14-,20+,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196829
PNG
(CHEMBL3914729)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCNCC2)cc1 |r|
Show InChI InChI=1S/C21H24Cl2N2O3S/c1-29(26,27)16-5-3-15(4-6-16)28-21-18-11-14(22)12-19(23)17(18)13-20(21)25-9-2-7-24-8-10-25/h3-6,11-12,20-21,24H,2,7-10,13H2,1H3/t20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger isoform 3


(Sus scrofa)		BDBM50196789
PNG
(CHEMBL3892788)
Show SMILES Cl.Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r|
Show InChI InChI=1S/C23H23Cl2FN4O2.ClH/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29;/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3;1H/t16-,21+,23+;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of pig NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Rattus norvegicus)		BDBM50196789
PNG
(CHEMBL3892788)
Show SMILES Cl.Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r|
Show InChI InChI=1S/C23H23Cl2FN4O2.ClH/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29;/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3;1H/t16-,21+,23+;/m1./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196842
PNG
(CHEMBL3943277)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC3(CCNC3)C2)cc1 |r|
Show InChI InChI=1S/C23H26Cl2N2O3S/c1-31(28,29)17-4-2-16(3-5-17)30-22-19-10-15(24)11-20(25)18(19)12-21(22)27-9-7-23(14-27)6-8-26-13-23/h2-5,10-11,21-22,26H,6-9,12-14H2,1H3/t21-,22-,23?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM282814
PNG
(6-((S)-2-Methyl-pyrrolidine-1-carbonyl)-3,4-dihydr...)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(c1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C25H27F3N4O3/c1-3-20(16-6-7-19(25(26,27)28)17(11-16)13-29)30-23(33)18-12-21(32-9-10-35-14-22(18)32)24(34)31-8-4-5-15(31)2/h6-7,11-12,15,20H,3-5,8-10,14H2,1-2H3,(H,30,33)/t15-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218253
PNG
(US9284333, 16c)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H27ClF3N3O3/c1-3-19(15-6-7-17(18(25)11-15)24(26,27)28)29-22(32)16-12-20(31-9-10-34-13-21(16)31)23(33)30-8-4-5-14(30)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,29,32)/t14-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218623
PNG
(US9284333, 16mb | US9884860, Example 16mb)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@@H](CC)c2ccccc2)n2CCCCc12)c1ccccc1 |r|
Show InChI InChI=1S/C28H33N3O2/c1-3-23(20-13-7-5-8-14-20)29-27(32)22-19-26(31-18-12-11-17-25(22)31)28(33)30-24(4-2)21-15-9-6-10-16-21/h5-10,13-16,19,23-24H,3-4,11-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218442
PNG
(US9284333, 16hb | US9884860, Example 16hb)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)NC(C2CC2)C2CC2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-2-20(16-6-4-3-5-7-16)26-24(29)19-14-21(28-12-13-31-15-22(19)28)25(30)27-23(17-8-9-17)18-10-11-18/h3-7,14,17-18,20,23H,2,8-13,15H2,1H3,(H,26,29)(H,27,30)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218442
PNG
(US9284333, 16hb | US9884860, Example 16hb)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)NC(C2CC2)C2CC2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-2-20(16-6-4-3-5-7-16)26-24(29)19-14-21(28-12-13-31-15-22(19)28)25(30)27-23(17-8-9-17)18-10-11-18/h3-7,14,17-18,20,23H,2,8-13,15H2,1H3,(H,26,29)(H,27,30)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218623
PNG
(US9284333, 16mb | US9884860, Example 16mb)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@@H](CC)c2ccccc2)n2CCCCc12)c1ccccc1 |r|
Show InChI InChI=1S/C28H33N3O2/c1-3-23(20-13-7-5-8-14-20)29-27(32)22-19-26(31-18-12-11-17-25(22)31)28(33)30-24(4-2)21-15-9-6-10-16-21/h5-10,13-16,19,23-24H,3-4,11-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218341
PNG
(US9284333, 16cg | US9884860, Example 16cg)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27ClFN3O3/c1-3-19(15-6-7-18(25)17(24)11-15)26-22(29)16-12-20(28-9-10-31-13-21(16)28)23(30)27-8-4-5-14(27)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,26,29)/t14-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218341
PNG
(US9284333, 16cg | US9884860, Example 16cg)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27ClFN3O3/c1-3-19(15-6-7-18(25)17(24)11-15)26-22(29)16-12-20(28-9-10-31-13-21(16)28)23(30)27-8-4-5-14(27)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,26,29)/t14-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196819
PNG
(CHEMBL3954374)
Show SMILES CN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1c(C)nnc1C |r|
Show InChI InChI=1S/C25H29Cl2N5O/c1-16-28-29-17(2)32(16)19-5-7-20(8-6-19)33-25-22-13-18(26)14-23(27)21(22)15-24(25)31-10-4-9-30(3)11-12-31/h5-8,13-14,24-25H,4,9-12,15H2,1-3H3/t24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179693
PNG
(US9127001, 8b | US9598410, Compound 8b)
Show SMILES CC(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22F2N4O/c1-15(2)24(31)29-9-8-22-20(14-29)23(17-5-3-4-16(10-17)12-27)28-30(22)13-18-6-7-19(25)11-21(18)26/h3-7,10-11,15H,8-9,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 19n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliated. Subsequently, TA...

US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179693
PNG
(US9127001, 8b | US9598410, Compound 8b)
Show SMILES CC(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22F2N4O/c1-15(2)24(31)29-9-8-22-20(14-29)23(17-5-3-4-16(10-17)12-27)28-30(22)13-18-6-7-19(25)11-21(18)26/h3-7,10-11,15H,8-9,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 19n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196809
PNG
(CHEMBL3916229)
Show SMILES C[C@@H]1CN(CCN1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H24Cl2N2O3S/c1-13-12-25(8-7-24-13)20-11-17-18(9-14(22)10-19(17)23)21(20)28-15-3-5-16(6-4-15)29(2,26)27/h3-6,9-10,13,20-21,24H,7-8,11-12H2,1-2H3/t13-,20+,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196784
PNG
(CHEMBL3895884)
Show SMILES CN(C)CCN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H26Cl2N2O3S/c1-24(2)9-10-25(3)20-13-17-18(11-14(22)12-19(17)23)21(20)28-15-5-7-16(8-6-15)29(4,26)27/h5-8,11-12,20-21H,9-10,13H2,1-4H3/t20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218340
PNG
(US9284333, 16cf | US9884860, Example 16cf)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(s1)C(F)(F)F |r|
Show InChI InChI=1S/C22H26F3N3O3S/c1-3-15(18-6-7-19(32-18)22(23,24)25)26-20(29)14-11-16(28-9-10-31-12-17(14)28)21(30)27-8-4-5-13(27)2/h6-7,11,13,15H,3-5,8-10,12H2,1-2H3,(H,26,29)/t13-,15+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218340
PNG
(US9284333, 16cf | US9884860, Example 16cf)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(s1)C(F)(F)F |r|
Show InChI InChI=1S/C22H26F3N3O3S/c1-3-15(18-6-7-19(32-18)22(23,24)25)26-20(29)14-11-16(28-9-10-31-12-17(14)28)21(30)27-8-4-5-13(27)2/h6-7,11,13,15H,3-5,8-10,12H2,1-2H3,(H,26,29)/t13-,15+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196810
PNG
(CHEMBL3893158)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCNCC2)cc1 |r|
Show InChI InChI=1S/C20H22Cl2N2O3S/c1-28(25,26)15-4-2-14(3-5-15)27-20-17-10-13(21)11-18(22)16(17)12-19(20)24-8-6-23-7-9-24/h2-5,10-11,19-20,23H,6-9,12H2,1H3/t19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196800
PNG
(CHEMBL3947901)
Show SMILES N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1ccnc1 |r|
Show InChI InChI=1S/C23H24Cl2N4O/c24-15-10-20-19(21(25)11-15)12-22(28-8-1-2-16(26)13-28)23(20)30-18-5-3-17(4-6-18)29-9-7-27-14-29/h3-7,9-11,14,16,22-23H,1-2,8,12-13,26H2/t16-,22+,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196795
PNG
(CHEMBL3938033)
Show SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCNCC2)cc1 |r|
Show InChI InChI=1S/C24H27Cl2N5O/c1-15-28-29-16(2)31(15)18-4-6-19(7-5-18)32-24-21-12-17(25)13-22(26)20(21)14-23(24)30-10-3-8-27-9-11-30/h4-7,12-13,23-24,27H,3,8-11,14H2,1-2H3/t23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218405
PNG
(US9284333, 16fc | US9884860, Example 16fc)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2CC)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-3-18-11-8-12-26(18)24(29)21-15-19(22-16-30-14-13-27(21)22)23(28)25-20(4-2)17-9-6-5-7-10-17/h5-7,9-10,15,18,20H,3-4,8,11-14,16H2,1-2H3,(H,25,28)/t18-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218405
PNG
(US9284333, 16fc | US9884860, Example 16fc)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2CC)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-3-18-11-8-12-26(18)24(29)21-15-19(22-16-30-14-13-27(21)22)23(28)25-20(4-2)17-9-6-5-7-10-17/h5-7,9-10,15,18,20H,3-4,8,11-14,16H2,1-2H3,(H,25,28)/t18-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218535
PNG
(US9284333, 16kt | US9884860, Example 16kt)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCSc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H26FN3O2S/c1-3-21(18-7-5-4-6-8-18)28-23(30)20-15-22(29-13-14-32-25(20)29)24(31)27-16(2)17-9-11-19(26)12-10-17/h4-12,15-16,21H,3,13-14H2,1-2H3,(H,27,31)(H,28,30)/t16-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218535
PNG
(US9284333, 16kt | US9884860, Example 16kt)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCSc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H26FN3O2S/c1-3-21(18-7-5-4-6-8-18)28-23(30)20-15-22(29-13-14-32-25(20)29)24(31)27-16(2)17-9-11-19(26)12-10-17/h4-12,15-16,21H,3,13-14H2,1-2H3,(H,27,31)(H,28,30)/t16-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196794
PNG
(CHEMBL3921160)
Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H24Cl2N2O3S/c1-30(27,28)17-4-2-16(3-5-17)29-22-19-6-15(23)7-20(24)18(19)8-21(22)26-11-13-9-25-10-14(13)12-26/h2-7,13-14,21-22,25H,8-12H2,1H3/t13-,14+,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50193124
PNG
(CHEMBL318663)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cc2ccccc2)cc1 |t:3,6|
Show InChI InChI=1S/C18H21N5/c1-18(2)22-16(19)21-17(20)23(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in pooled human hepatic microsomes using testosterone substrate in presence of NADPH

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218343
PNG
(US9284333, 16ci | US9884860, Example 16ci)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O3/c1-3-19(15-6-7-17(24)18(25)11-15)26-22(29)16-12-20(28-9-10-31-13-21(16)28)23(30)27-8-4-5-14(27)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,26,29)/t14-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218343
PNG
(US9284333, 16ci | US9884860, Example 16ci)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O3/c1-3-19(15-6-7-17(24)18(25)11-15)26-22(29)16-12-20(28-9-10-31-13-21(16)28)23(30)27-8-4-5-14(27)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,26,29)/t14-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196804
PNG
(CHEMBL3894965)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCN(CCO)CC2)cc1 |r|
Show InChI InChI=1S/C23H28Cl2N2O4S/c1-32(29,30)18-5-3-17(4-6-18)31-23-20-13-16(24)14-21(25)19(20)15-22(23)27-8-2-7-26(9-10-27)11-12-28/h3-6,13-14,22-23,28H,2,7-12,15H2,1H3/t22-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196813
PNG
(CHEMBL3920102)
Show SMILES N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1cncn1 |r|
Show InChI InChI=1S/C22H23Cl2N5O/c23-14-8-19-18(20(24)9-14)10-21(28-7-1-2-15(25)11-28)22(19)30-17-5-3-16(4-6-17)29-13-26-12-27-29/h3-6,8-9,12-13,15,21-22H,1-2,7,10-11,25H2/t15-,21+,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218540
PNG
(US9284333, 16ky | US9884860, Example 16ky)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CSCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H26FN3O2S/c1-3-21(18-7-5-4-6-8-18)28-24(30)20-13-22(29-15-32-14-23(20)29)25(31)27-16(2)17-9-11-19(26)12-10-17/h4-13,16,21H,3,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218540
PNG
(US9284333, 16ky | US9884860, Example 16ky)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CSCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H26FN3O2S/c1-3-21(18-7-5-4-6-8-18)28-24(30)20-13-22(29-15-32-14-23(20)29)25(31)27-16(2)17-9-11-19(26)12-10-17/h4-13,16,21H,3,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196833
PNG
(CHEMBL3949677)
Show SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r|
Show InChI InChI=1S/C23H23Cl2FN4O2/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3/t16-,21+,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218618
PNG
(US9284333, 16gk | US9884860, Example 16gk)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)NCCC2CC2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-2-19(17-6-4-3-5-7-17)25-22(27)18-14-20(26-12-13-29-15-21(18)26)23(28)24-11-10-16-8-9-16/h3-7,14,16,19H,2,8-13,15H2,1H3,(H,24,28)(H,25,27)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218618
PNG
(US9284333, 16gk | US9884860, Example 16gk)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)NCCC2CC2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-2-19(17-6-4-3-5-7-17)25-22(27)18-14-20(26-12-13-29-15-21(18)26)23(28)24-11-10-16-8-9-16/h3-7,14,16,19H,2,8-13,15H2,1H3,(H,24,28)(H,25,27)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218534
PNG
(US9284333, 16ks | US9884860, Example 16ks)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCSc12)c1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O2S/c1-3-18(16-9-5-4-6-10-16)23-20(26)17-14-19(25-12-13-28-22(17)25)21(27)24-11-7-8-15(24)2/h4-6,9-10,14-15,18H,3,7-8,11-13H2,1-2H3,(H,23,26)/t15-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218534
PNG
(US9284333, 16ks | US9884860, Example 16ks)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCSc12)c1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O2S/c1-3-18(16-9-5-4-6-10-16)23-20(26)17-14-19(25-12-13-28-22(17)25)21(27)24-11-7-8-15(24)2/h4-6,9-10,14-15,18H,3,7-8,11-13H2,1-2H3,(H,23,26)/t15-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218282
PNG
(US9284333, 16w | US9884860, Example 16w)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1cc(F)ccc1Cl |r|
Show InChI InChI=1S/C23H27ClFN3O3/c1-3-19(16-11-15(25)6-7-18(16)24)26-22(29)17-12-20(28-9-10-31-13-21(17)28)23(30)27-8-4-5-14(27)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,26,29)/t14-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218467
PNG
(US9284333, 16ic | US9884860, Example 16ic)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2cccc(OC)n2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-4-20(18-10-7-6-8-11-18)29-26(32)19-16-23(31-14-15-35-17-24(19)31)27(33)30-21(5-2)22-12-9-13-25(28-22)34-3/h6-13,16,20-21H,4-5,14-15,17H2,1-3H3,(H,29,32)(H,30,33)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218467
PNG
(US9284333, 16ic | US9884860, Example 16ic)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2cccc(OC)n2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-4-20(18-10-7-6-8-11-18)29-26(32)19-16-23(31-14-15-35-17-24(19)31)27(33)30-21(5-2)22-12-9-13-25(28-22)34-3/h6-13,16,20-21H,4-5,14-15,17H2,1-3H3,(H,29,32)(H,30,33)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218282
PNG
(US9284333, 16w | US9884860, Example 16w)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1cc(F)ccc1Cl |r|
Show InChI InChI=1S/C23H27ClFN3O3/c1-3-19(16-11-15(25)6-7-18(16)24)26-22(29)17-12-20(28-9-10-31-13-21(17)28)23(30)27-8-4-5-14(27)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,26,29)/t14-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218463
PNG
(US9284333, 16hy | US9884860, Example 16hy)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2cnc(OC)cn2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C26H31N5O4/c1-4-19(17-9-7-6-8-10-17)29-25(32)18-13-22(31-11-12-35-16-23(18)31)26(33)30-20(5-2)21-14-28-24(34-3)15-27-21/h6-10,13-15,19-20H,4-5,11-12,16H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM218463
PNG
(US9284333, 16hy | US9884860, Example 16hy)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2cnc(OC)cn2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C26H31N5O4/c1-4-19(17-9-7-6-8-10-17)29-25(32)18-13-22(31-11-12-35-16-23(18)31)26(33)30-20(5-2)21-14-28-24(34-3)15-27-21/h6-10,13-15,19-20H,4-5,11-12,16H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Displayed 1 to 50 (of 1038 total )  |  Next  |  Last  >>
Jump to: