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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'imamiya' and Initial = 'e'   
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 1


(Rattus norvegicus)
BDBM50115243
PNG
((S)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7S)-5...)
Show SMILES [#6]-c1ccc(F)cc1-[#6@H]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12|
Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)/t12-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115239
PNG
((S)-N-[7-(2,5-dichloro-3-thienyl)-4-methyl-(7S)-5,...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10|
Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)/t8-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115271
PNG
(CHEMBL556009 | N-[7-(2,5-dichloro-3-thienyl)-4-met...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10|
Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)
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n/an/a 19n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115246
PNG
(CHEMBL543867 | N-[7-(2-chloro-5-fluorophenyl)-4-me...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(F)ccc1Cl |w:10.10|
Show InChI InChI=1S/C17H17ClFN5/c1-9-4-5-22-14-6-10(12-8-11(19)2-3-13(12)18)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)
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n/an/a 19n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115248
PNG
(CHEMBL552723 | N-[7-(3-chloro-2-thienyl)-4-methyl-...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1sccc1Cl |w:10.10|
Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(14-10(16)3-5-22-14)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)
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n/an/a 19n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115267
PNG
(CHEMBL102546 | N-[7-(2-chlorophenyl)-4-methyl-(7S)...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10|
Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)/t11-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115268
PNG
(CHEMBL554001 | N-[7-(2-chloro-3-thienyl)-4-methyl-...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccsc1Cl |w:10.10|
Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(10-3-5-22-14(10)16)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)
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n/an/a 22n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115238
PNG
(CHEMBL552865 | N-[7-(2-chlorophenyl)-4-methyl-5,6,...)
Show SMILES [#6]-c1cnnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10|
Show InChI InChI=1S/C16H17ClN6/c1-9-8-20-21-13-6-10(11-4-2-3-5-12(11)17)7-14(15(9)13)22-23-16(18)19/h2-5,8,10H,6-7H2,1H3,(H4,18,19,23)
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n/an/a 26n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115245
PNG
(CHEMBL554215 | N-[4-methyl-7-(3-thienyl)-5,6,7,8-t...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccsc1 |w:10.10|
Show InChI InChI=1S/C15H17N5S/c1-9-2-4-18-12-6-11(10-3-5-21-8-10)7-13(14(9)12)19-20-15(16)17/h2-5,8,11H,6-7H2,1H3,(H4,16,17,20)
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n/an/a 30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044403
PNG
(2-Methoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylme...)
Show SMILES COc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H18N6O3/c1-32-23-24-19-8-4-7-18(22(30)31)20(19)29(23)13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21-25-27-28-26-21/h2-12H,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 32n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115236
PNG
(CHEMBL542925 | N-[7-(5-fluoro-2-methoxyphenyl)-4-m...)
Show SMILES [#6]-[#8]-c1ccc(F)cc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:12.13|
Show InChI InChI=1S/C18H20FN5O/c1-10-5-6-22-14-7-11(8-15(17(10)14)23-24-18(20)21)13-9-12(19)3-4-16(13)25-2/h3-6,9,11H,7-8H2,1-2H3,(H4,20,21,24)
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n/an/a 32n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115233
PNG
(CHEMBL541577 | N-[7-(2-fluorophenyl)-4-methyl-5,6,...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1F |w:10.10|
Show InChI InChI=1S/C17H18FN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)
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n/an/a 32n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115270
PNG
((R)-N-[7-(2,5-dichloro-3-thienyl)-4-methyl-(7R)-5,...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6@@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10|
Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)/t8-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115264
PNG
(CHEMBL552934 | N-[3-methyl-6-(2-methylphenyl)-4,5,...)
Show SMILES Cc1c[nH]c2CC(CC(=NN=C(N)N)c12)c1ccccc1C |w:9.9,(4.35,-5.54,;5.44,-6.63,;5.44,-8.17,;6.77,-8.96,;8.08,-8.17,;9.43,-8.94,;10.76,-8.17,;10.76,-6.63,;9.43,-5.86,;9.43,-4.32,;10.76,-3.55,;10.76,-2.01,;12.09,-1.24,;9.41,-1.24,;8.1,-6.63,;12.09,-8.94,;12.09,-10.48,;13.42,-11.25,;14.75,-10.48,;14.75,-8.94,;13.42,-8.17,;13.42,-6.63,)|
Show InChI InChI=1S/C17H21N5/c1-10-5-3-4-6-13(10)12-7-14-16(11(2)9-20-14)15(8-12)21-22-17(18)19/h3-6,9,12,20H,7-8H2,1-2H3,(H4,18,19,22)
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n/an/a 34n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115258
PNG
(CHEMBL555535 | N-[7-(5-fluoro-2-methylphenyl)-4-me...)
Show SMILES [#6]-c1ccc(F)cc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12|
Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)
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n/an/a 37n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044379
PNG
(2-Propylamino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES CCCNc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H23N7O2/c1-2-14-26-25-27-21-9-5-8-20(24(33)34)22(21)32(25)15-16-10-12-17(13-11-16)18-6-3-4-7-19(18)23-28-30-31-29-23/h3-13H,2,14-15H2,1H3,(H,26,27)(H,33,34)(H,28,29,30,31)
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n/an/a 39n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115257
PNG
(CHEMBL542687 | N-[7-(2,5-difluorophenyl)-4-methyl-...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(F)ccc1F |w:10.10|
Show InChI InChI=1S/C17H17F2N5/c1-9-4-5-22-14-6-10(12-8-11(18)2-3-13(12)19)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)
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n/an/a 39n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115256
PNG
(CHEMBL543148 | N-[7-(2-chlorophenyl)-4-methyl-5,6,...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10|
Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)
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n/an/a 40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50285002
PNG
(2-Ethylamino-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxadi...)
Show SMILES CCNc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C25H21N5O4/c1-2-26-24-27-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-28-25(33)34-29-22/h3-13H,2,14H2,1H3,(H,26,27)(H,31,32)(H,28,29,33)
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Article
n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044410
PNG
(2-Ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O2/c1-2-21-25-20-9-5-8-19(24(31)32)22(20)30(21)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)23-26-28-29-27-23/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/a 46n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115252
PNG
(CHEMBL552827 | N-[4-methyl-7-(2-thienyl)-5,6,7,8-t...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cccs1 |w:10.10|
Show InChI InChI=1S/C15H17N5S/c1-9-4-5-18-11-7-10(13-3-2-6-21-13)8-12(14(9)11)19-20-15(16)17/h2-6,10H,7-8H2,1H3,(H4,16,17,20)
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n/an/a 47n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115260
PNG
(CHEMBL545732 | N-[7-(3,5-dichloro-2-thienyl)-4-met...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1sc(Cl)cc1Cl |w:10.10|
Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(14-9(16)6-12(17)23-14)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)
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n/an/a 49n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115234
PNG
(CHEMBL105412 | N-[7-(2-chlorophenyl)-4-methoxy-5,6...)
Show SMILES [#6]-[#8]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:11.11|
Show InChI InChI=1S/C17H18ClN5O/c1-24-15-6-7-21-13-8-10(11-4-2-3-5-12(11)18)9-14(16(13)15)22-23-17(19)20/h2-7,10H,8-9H2,1H3,(H4,19,20,23)
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n/an/a 50n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115241
PNG
(CHEMBL541918 | N-[6-(2-chlorophenyl)-3-methyl-4,5,...)
Show SMILES Cc1n[nH]c2CC(CC(=NN=C(N)N)c12)c1ccccc1Cl |w:9.9,(-1.12,-2.5,;-.04,-3.6,;-.04,-5.14,;1.29,-5.93,;2.61,-5.14,;3.95,-5.91,;5.3,-5.14,;5.3,-3.6,;3.95,-2.83,;3.95,-1.29,;5.28,-.52,;5.28,1.02,;6.61,1.79,;3.94,1.79,;2.62,-3.6,;6.63,-5.91,;6.63,-7.45,;7.96,-8.22,;9.29,-7.45,;9.29,-5.91,;7.96,-5.14,;7.94,-3.6,)|
Show InChI InChI=1S/C15H17ClN6/c1-8-14-12(20-19-8)6-9(7-13(14)21-22-15(17)18)10-4-2-3-5-11(10)16/h2-5,9H,6-7H2,1H3,(H,19,20)(H4,17,18,22)
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n/an/a 55n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115259
PNG
(CHEMBL554422 | N-[7-(2-bromophenyl)-4-methyl-5,6,7...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Br |w:10.10|
Show InChI InChI=1S/C17H18BrN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)
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n/an/a 56n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115228
PNG
(CHEMBL552540 | N-[4-methyl-7-(2-methylphenyl)-5,6,...)
Show SMILES [#6]-c1ccccc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:10.11|
Show InChI InChI=1S/C18H21N5/c1-11-5-3-4-6-14(11)13-9-15-17(12(2)7-8-21-15)16(10-13)22-23-18(19)20/h3-8,13H,9-10H2,1-2H3,(H4,19,20,23)
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n/an/a 57n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115255
PNG
(CHEMBL540813 | N-[7-(2,5-dichlorophenyl)-4-methyl-...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)ccc1Cl |w:10.10|
Show InChI InChI=1S/C17H17Cl2N5/c1-9-4-5-22-14-6-10(12-8-11(18)2-3-13(12)19)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)
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n/an/a 58n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115229
PNG
(CHEMBL553754 | N-[7-(3-chlorophenyl)-4-methyl-5,6,...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cccc(Cl)c1 |w:10.10|
Show InChI InChI=1S/C17H18ClN5/c1-10-5-6-21-14-8-12(11-3-2-4-13(18)7-11)9-15(16(10)14)22-23-17(19)20/h2-7,12H,8-9H2,1H3,(H4,19,20,23)
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n/an/a 61n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044414
PNG
(2-Ethylamino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...)
Show SMILES CCNc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H21N7O2/c1-2-25-24-26-20-9-5-8-19(23(32)33)21(20)31(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-29-30-28-22/h3-13H,2,14H2,1H3,(H,25,26)(H,32,33)(H,27,28,29,30)
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n/an/a 62n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044396
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H22N6O3/c1-3-34-25-26-21-10-6-9-20(24(32)33-2)22(21)31(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-27-29-30-28-23/h4-14H,3,15H2,1-2H3,(H,27,28,29,30)
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n/an/a 66n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
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 75n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115235
PNG
(CHEMBL541833 | N-[6-(2-chlorophenyl)-3-methyl-4,5,...)
Show SMILES [#6]-c1coc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:9.9|
Show InChI InChI=1S/C16H17ClN4O/c1-9-8-22-14-7-10(11-4-2-3-5-12(11)17)6-13(15(9)14)20-21-16(18)19/h2-5,8,10H,6-7H2,1H3,(H4,18,19,21)
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n/an/a 82n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044386
PNG
(2-Isopropyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES CC(C)c1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H22N6O2/c1-15(2)24-26-21-9-5-8-20(25(32)33)22(21)31(24)14-16-10-12-17(13-11-16)18-6-3-4-7-19(18)23-27-29-30-28-23/h3-13,15H,14H2,1-2H3,(H,32,33)(H,27,28,29,30)
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n/an/a 82n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044389
PNG
(2-Cyclopropyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1cccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c12
Show InChI InChI=1S/C25H20N6O2/c32-25(33)20-6-3-7-21-22(20)31(24(26-21)17-12-13-17)14-15-8-10-16(11-9-15)18-4-1-2-5-19(18)23-27-29-30-28-23/h1-11,17H,12-14H2,(H,32,33)(H,27,28,29,30)
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n/an/a 84n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115269
PNG
(CHEMBL554686 | N-[7-(2,3-dichlorophenyl)-4-methyl-...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cccc(Cl)c1Cl |w:10.10|
Show InChI InChI=1S/C17H17Cl2N5/c1-9-5-6-22-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)23-24-17(20)21/h2-6,10H,7-8H2,1H3,(H4,20,21,24)
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n/an/a 89n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115261
PNG
(CHEMBL543865 | N-(4-methyl-7-phenyl-5,6,7,8-tetrah...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1 |w:10.10|
Show InChI InChI=1S/C17H19N5/c1-11-7-8-20-14-9-13(12-5-3-2-4-6-12)10-15(16(11)14)21-22-17(18)19/h2-8,13H,9-10H2,1H3,(H4,18,19,22)
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n/an/a 91n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044388
PNG
(2-Ethanesulfinyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCS(=O)c1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H22N6O3S/c1-3-35(33)25-26-21-10-6-9-20(24(32)34-2)22(21)31(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-27-29-30-28-23/h4-14H,3,15H2,1-2H3,(H,27,28,29,30)
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n/an/a>100n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115253
PNG
(CHEMBL555103 | N-[7-(2-methoxyphenyl)-4-methyl-5,6...)
Show SMILES [#6]-[#8]-c1ccccc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12|
Show InChI InChI=1S/C18H21N5O/c1-11-7-8-21-14-9-12(13-5-3-4-6-16(13)24-2)10-15(17(11)14)22-23-18(19)20/h3-8,12H,9-10H2,1-2H3,(H4,19,20,23)
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n/an/a 100n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/a 110n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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Article
n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115242
PNG
(CHEMBL554125 | N-[7-(2-furyl)-4-methyl-5,6,7,8-tet...)
Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccco1 |w:10.10|
Show InChI InChI=1S/C15H17N5O/c1-9-4-5-18-11-7-10(13-3-2-6-21-13)8-12(14(9)11)19-20-15(16)17/h2-6,10H,7-8H2,1H3,(H4,16,17,20)
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n/an/a 110n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044413
PNG
(2-Propylsulfanyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCSc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H22N6O2S/c1-2-14-34-25-26-21-9-5-8-20(24(32)33)22(21)31(25)15-16-10-12-17(13-11-16)18-6-3-4-7-19(18)23-27-29-30-28-23/h3-13H,2,14-15H2,1H3,(H,32,33)(H,27,28,29,30)
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n/an/a 120n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044377
PNG
(2-Methylsulfanyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CSc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H18N6O2S/c1-32-23-24-19-8-4-7-18(22(30)31)20(19)29(23)13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21-25-27-28-26-21/h2-12H,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 120n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044406
PNG
(2-Methylsulfanylmethyl-3-[2'-(1H-tetrazol-5-yl)-bi...)
Show SMILES CSCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O2S/c1-33-14-21-25-20-8-4-7-19(24(31)32)22(20)30(21)13-15-9-11-16(12-10-15)17-5-2-3-6-18(17)23-26-28-29-27-23/h2-12H,13-14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/a 150n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50406795
PNG
(Cozaar | LOSARTAN POTASSIUM)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1
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n/an/a 150n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044408
PNG
(2-Methylamino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES CNc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H19N7O2/c1-24-23-25-19-8-4-7-18(22(31)32)20(19)30(23)13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21-26-28-29-27-21/h2-12H,13H2,1H3,(H,24,25)(H,31,32)(H,26,27,28,29)
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n/an/a 170n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044375
PNG
(2-Propyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H22N6O2/c1-2-6-22-26-21-10-5-9-20(25(32)33)23(21)31(22)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24-27-29-30-28-24/h3-5,7-14H,2,6,15H2,1H3,(H,32,33)(H,27,28,29,30)
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n/an/a 170n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50044382
PNG
(2-Ethylsulfanyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-...)
Show SMILES CCSc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O2S/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex


J Med Chem 36: 2182-95 (1993)


BindingDB Entry DOI: 10.7270/Q20Z73X8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115249
PNG
(CHEMBL545502 | N-(2,4-dimethyl-7-phenyl-5,6,7,8-te...)
Show SMILES [#6]-c1cc(-[#6])c2-[#6](-[#6]-[#6](-[#6]-c2n1)-c1ccccc1)=[#7]\[#7]=[#6](\[#7])-[#7] |w:18.21|
Show InChI InChI=1S/C18H21N5/c1-11-8-12(2)21-15-9-14(13-6-4-3-5-7-13)10-16(17(11)15)22-23-18(19)20/h3-8,14H,9-10H2,1-2H3,(H4,19,20,23)
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n/an/a 180n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
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