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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'fujiwara' and Initial = 's'   
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)
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)
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)
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115335
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H26ClN5O4/c1-35-24-15-22-23(16-25(24)36-2)29-17-30-26(22)32-11-13-33(14-12-32)27(34)31-19-5-9-21(10-6-19)37-20-7-3-18(28)4-8-20/h3-10,15-17H,11-14H2,1-2H3,(H,31,34)
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n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115302
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC
Show InChI InChI=1S/C24H29N5O3/c1-16(2)17-5-7-18(8-6-17)27-24(30)29-11-9-28(10-12-29)23-19-13-21(31-3)22(32-4)14-20(19)25-15-26-23/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
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n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115351
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H29N5O4/c1-19-4-8-21(9-5-19)37-22-10-6-20(7-11-22)31-28(34)33-14-12-32(13-15-33)27-23-16-25(35-2)26(36-3)17-24(23)29-18-30-27/h4-11,16-18H,12-15H2,1-3H3,(H,31,34)
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n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115347
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)(C)C)c2cc1OC
Show InChI InChI=1S/C25H31N5O3/c1-25(2,3)17-6-8-18(9-7-17)28-24(31)30-12-10-29(11-13-30)23-19-14-21(32-4)22(33-5)15-20(19)26-16-27-23/h6-9,14-16H,10-13H2,1-5H3,(H,28,31)
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n/an/a 30n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
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)
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)
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
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
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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50115302
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC
Show InChI InChI=1S/C24H29N5O3/c1-16(2)17-5-7-18(8-6-17)27-24(30)29-11-9-28(10-12-29)23-19-13-21(31-3)22(32-4)14-20(19)25-15-26-23/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
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n/an/a 50n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Flt3 kinase


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50115301
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
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n/an/a 50n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor alpha


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50115302
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC
Show InChI InChI=1S/C24H29N5O3/c1-16(2)17-5-7-18(8-6-17)27-24(30)29-11-9-28(10-12-29)23-19-13-21(31-3)22(32-4)14-20(19)25-15-26-23/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
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n/an/a 50n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Mast/stem cell growth factor receptor (c-Kit kinase)


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115299
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)c2cc1OC
Show InChI InChI=1S/C31H29N5O4/c1-38-28-18-25-26(19-29(28)39-2)32-20-33-30(25)35-14-16-36(17-15-35)31(37)34-22-10-12-23(13-11-22)40-27-9-5-7-21-6-3-4-8-24(21)27/h3-13,18-20H,14-17H2,1-2H3,(H,34,37)
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n/an/a 50n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50115301
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Mast/stem cell growth factor receptor (c-Kit kinase)


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115331
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Cc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H29N5O3/c1-35-25-17-23-24(18-26(25)36-2)29-19-30-27(23)32-12-14-33(15-13-32)28(34)31-22-10-8-21(9-11-22)16-20-6-4-3-5-7-20/h3-11,17-19H,12-16H2,1-2H3,(H,31,34)
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n/an/a 60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115301
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
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n/an/a 80n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115319
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Nc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H28N6O3/c1-35-24-16-22-23(17-25(24)36-2)28-18-29-26(22)32-12-14-33(15-13-32)27(34)31-21-10-8-20(9-11-21)30-19-6-4-3-5-7-19/h3-11,16-18,30H,12-15H2,1-2H3,(H,31,34)
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n/an/a 80n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115302
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC
Show InChI InChI=1S/C24H29N5O3/c1-16(2)17-5-7-18(8-6-17)27-24(30)29-11-9-28(10-12-29)23-19-13-21(31-3)22(32-4)14-20(19)25-15-26-23/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
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n/an/a 80n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
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
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50115302
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC
Show InChI InChI=1S/C24H29N5O3/c1-16(2)17-5-7-18(8-6-17)27-24(30)29-11-9-28(10-12-29)23-19-13-21(31-3)22(32-4)14-20(19)25-15-26-23/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
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n/an/a 90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor alpha


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115354
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=S)Nc3ccc(Br)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C21H21BrClN5O2S/c1-29-18-10-14-17(11-19(18)30-2)24-12-25-20(14)27-5-7-28(8-6-27)21(31)26-13-3-4-15(22)16(23)9-13/h3-4,9-12H,5-8H2,1-2H3,(H,26,31)
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n/an/a 100n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115308
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1ccccc1Oc1ccc(NC(=O)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)cc1
Show InChI InChI=1S/C28H29N5O5/c1-35-23-6-4-5-7-24(23)38-20-10-8-19(9-11-20)31-28(34)33-14-12-32(13-15-33)27-21-16-25(36-2)26(37-3)17-22(21)29-18-30-27/h4-11,16-18H,12-15H2,1-3H3,(H,31,34)
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n/an/a 100n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115306
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES CCCc1ccc(NC(=O)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)cc1
Show InChI InChI=1S/C24H29N5O3/c1-4-5-17-6-8-18(9-7-17)27-24(30)29-12-10-28(11-13-29)23-19-14-21(31-2)22(32-3)15-20(19)25-16-26-23/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,30)
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n/an/a 110n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115301
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
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n/an/a 130n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50115298
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2cc1OC
Show InChI InChI=1S/C21H22BrN5O3/c1-29-18-11-16-17(12-19(18)30-2)23-13-24-20(16)26-7-9-27(10-8-26)21(28)25-15-5-3-14(22)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,25,28)
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n/an/a 130n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Mast/stem cell growth factor receptor (c-Kit kinase)


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50115327
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H28N6O4/c1-35-24-15-22-23(16-25(24)36-2)29-17-30-26(22)32-11-13-33(14-12-32)27(34)31-19-5-9-21(10-6-19)37-20-7-3-18(28)4-8-20/h3-10,15-17H,11-14,28H2,1-2H3,(H,31,34)
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n/an/a 150n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


J Med Chem 45: 3057-66 (2002)


BindingDB Entry DOI: 10.7270/Q2RX9BDP
More data for this
Ligand-Target Pair
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