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Compile Data Set for Download or QSAR

Found 14 hits of ic50 data for polymerid = 50001214   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50104844
PNG
(BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N
Show InChI InChI=1S/C15H19N3O2/c1-15(2)11(12(15)13(19)18-14(16)17)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H4,16,17,18,19)/t11-,12+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity

J Med Chem 44: 3302-10 (2001)


BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50097897
PNG
(CHEMBL352933 | N-(5-Methyl-1-phenyl-1H-pyrazole-4-...)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NC(N)=N
Show InChI InChI=1S/C12H13N5O/c1-8-10(11(18)16-12(13)14)7-15-17(8)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16,18)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%

Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50191831
PNG
(5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C21H24FN5O/c1-13-10-16(4-5-18(13)22)17-11-23-21(28-3)26-20(17)27-8-6-15(7-9-27)19-14(2)24-12-25-19/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line

Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50058715
PNG
(CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...)
Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1
Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%

Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50097898
PNG
(CHEMBL355862 | N-(5-Cyclopropyl-1-quinolin-5-yl-1H...)
Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C17H16N6O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13/h1-5,8-10H,6-7H2,(H4,18,19,22,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%

Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50097895
PNG
(CHEMBL355071 | N-(5-Cyclopropyl-1-phenyl-1H-pyrazo...)
Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1ccccc1
Show InChI InChI=1S/C14H15N5O/c15-14(16)18-13(20)11-8-17-19(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H4,15,16,18,20)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%

Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50097896
PNG
(CHEMBL354137 | N-(5-Cyclopropyl-1-naphthalen-1-yl-...)
Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C18H17N5O/c19-18(20)22-17(24)14-10-21-23(16(14)12-8-9-12)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,10,12H,8-9H2,(H4,19,20,22,24)
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n/an/a 1.63E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%

Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50058715
PNG
(CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...)
Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1
Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity

J Med Chem 44: 3302-10 (2001)


BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50058715
PNG
(CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...)
Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1
Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line

Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%

Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line

Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity

J Med Chem 44: 3302-10 (2001)


BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))		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
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 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 2


(Homo sapiens (Human))		BDBM50097899
PNG
(CHEMBL167495 | N-(5-Methyl-1-quinolin-5-yl-1H-pyra...)
Show SMILES Cc1c(cnn1-c1cccc2ncccc12)C(=O)NC(N)=N
Show InChI InChI=1S/C15H14N6O/c1-9-11(14(22)20-15(16)17)8-19-21(9)13-6-2-5-12-10(13)4-3-7-18-12/h2-8H,1H3,(H4,16,17,20,22)
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n/an/a 4.16E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%

Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
More data for this
Ligand-Target Pair