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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'ohashi' and Initial = 'n'   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50105033
PNG
(CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)
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0.00420n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50369953
PNG
(CHEMBL1627022)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H27BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3/q-1
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0.0150n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50369953
PNG
(CHEMBL1627022)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H27BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3/q-1
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41n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50105000
PNG
(CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...)
Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1
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81n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50105033
PNG
(CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)
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130n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50105000
PNG
(CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...)
Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1
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140n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105055
PNG
(4-tert-Butyl-N-{6-[2-(5-hydroxymethyl-pyrimidin-2-...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(CO)cn1
Show InChI InChI=1S/C28H31N5O5S/c1-19-5-7-21(8-6-19)24-25(33-39(35,36)23-11-9-22(10-12-23)28(2,3)4)31-18-32-26(24)37-13-14-38-27-29-15-20(17-34)16-30-27/h5-12,15-16,18,34H,13-14,17H2,1-4H3,(H,31,32,33)
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n/an/a 0.00260n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105051
PNG
(CHEMBL112624 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H28BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33)
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n/an/a 0.00620n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50369954
PNG
(CHEMBL1627023)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(CO)cn1
Show InChI InChI=1S/C28H30N5O5S/c1-19-5-7-21(8-6-19)24-25(33-39(35,36)23-11-9-22(10-12-23)28(2,3)4)31-18-32-26(24)37-13-14-38-27-29-15-20(17-34)16-30-27/h5-12,15-16,18,34H,13-14,17H2,1-4H3/q-1
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n/an/a 0.0340n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50105033
PNG
(CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)
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n/an/a 0.0390n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit specific binding of [125I]- -ET-1 to rat A 10 cells which express endothelin A receptor


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105057
PNG
(CHEMBL324184 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(CO)cc1
Show InChI InChI=1S/C27H28BrN5O5S/c1-27(2,3)20-8-10-22(11-9-20)39(35,36)33-24-23(19-6-4-18(16-34)5-7-19)25(32-17-31-24)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33)
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n/an/a 0.0400n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105054
PNG
(4-tert-Butyl-N-{5-(4-hydroxymethyl-phenyl)-6-[2-(5...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(CO)cc2)nc1
Show InChI InChI=1S/C28H31N5O5S2/c1-28(2,3)21-9-11-23(12-10-21)40(35,36)33-25-24(20-7-5-19(17-34)6-8-20)26(32-18-31-25)37-13-14-38-27-29-15-22(39-4)16-30-27/h5-12,15-16,18,34H,13-14,17H2,1-4H3,(H,31,32,33)
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n/an/a 0.0400n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50369953
PNG
(CHEMBL1627022)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H27BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3/q-1
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n/an/a 0.330n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105059
PNG
(2-(4-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C(O)=O)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H26BrN5O6S/c1-17-4-6-18(7-5-17)22-23(31-16-32-24(22)38-12-13-39-26-29-14-20(28)15-30-26)33-40(36,37)21-10-8-19(9-11-21)27(2,3)25(34)35/h4-11,14-16H,12-13H2,1-3H3,(H,34,35)(H,31,32,33)
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n/an/a 1.40n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175766
PNG
(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(ccnc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C31H37N5O3/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5/h9-16,18-20H,7-8,17H2,1-6H3,(H2,34,35,38)
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n/an/a 5.40n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105000
PNG
(CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...)
Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1
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n/an/a 7.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175771
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H39N5O3/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39)
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n/an/a 8.30n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50369953
PNG
(CHEMBL1627022)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H27BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3/q-1
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n/an/a 8.30n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105052
PNG
(2-{2-[6-(4-tert-Butyl-benzenesulfonylamino)-5-p-to...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)C(O)=O
Show InChI InChI=1S/C28H29N5O6S/c1-18-5-7-19(8-6-18)23-24(33-40(36,37)22-11-9-21(10-12-22)28(2,3)4)31-17-32-25(23)38-13-14-39-27-29-15-20(16-30-27)26(34)35/h5-12,15-17H,13-14H2,1-4H3,(H,34,35)(H,31,32,33)
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n/an/a>10n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105053
PNG
(4-{4-(4-tert-Butyl-benzenesulfonylamino)-6-[2-(5-m...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(cc2)C(O)=O)nc1
Show InChI InChI=1S/C28H29N5O6S2/c1-28(2,3)20-9-11-22(12-10-20)41(36,37)33-24-23(18-5-7-19(8-6-18)26(34)35)25(32-17-31-24)38-13-14-39-27-29-15-21(40-4)16-30-27/h5-12,15-17H,13-14H2,1-4H3,(H,34,35)(H,31,32,33)
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n/an/a>10n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175772
PNG
(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H38N4O3/c1-7-8-18-36-30-26(16-11-17-33-30)27(22-12-9-13-23(19-22)39-6)29(31(36)37)35-32(38)34-28-24(20(2)3)14-10-15-25(28)21(4)5/h9-17,19-21H,7-8,18H2,1-6H3,(H2,34,35,38)
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175767
PNG
(1-(3-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(ccc(N)c2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H39N5O3/c1-7-8-17-37-30-24(13-10-16-34-30)27(21-11-9-12-22(18-21)40-6)29(31(37)38)36-32(39)35-28-23(19(2)3)14-15-25(33)26(28)20(4)5/h9-16,18-20H,7-8,17,33H2,1-6H3,(H2,35,36,39)
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n/an/a 14n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175765
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C34H43N5O4/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42)
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n/an/a 21n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50369954
PNG
(CHEMBL1627023)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(CO)cn1
Show InChI InChI=1S/C28H30N5O5S/c1-19-5-7-21(8-6-19)24-25(33-39(35,36)23-11-9-22(10-12-23)28(2,3)4)31-18-32-26(24)37-13-14-38-27-29-15-20(17-34)16-30-27/h5-12,15-16,18,34H,13-14,17H2,1-4H3/q-1
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n/an/a 31n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50105033
PNG
(CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)
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n/an/a 38n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor


J Med Chem 44: 3369-77 (2001)


BindingDB Entry DOI: 10.7270/Q27M08P8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50112397
PNG
(CHEMBL22323 | Sodium;4-chloro-N-{[(4-cyano-3-methy...)
Show SMILES Cc1nn(c(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H14ClN5O3S/c1-12-16(11-20)17(24(22-12)14-5-3-2-4-6-14)21-18(25)23-28(26,27)15-9-7-13(19)8-10-15/h2-10H,1H3,(H2,21,22,23,25)/p-1
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n/an/a 42n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175775
PNG
(1-(3-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCO)c2)c(NC(=O)Nc2c(ccc(N)c2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C34H43N5O4/c1-6-7-17-39-32-26(13-9-16-36-32)29(23-11-8-12-24(20-23)43-19-10-18-40)31(33(39)41)38-34(42)37-30-25(21(2)3)14-15-27(35)28(30)22(4)5/h8-9,11-16,20-22,40H,6-7,10,17-19,35H2,1-5H3,(H2,37,38,42)
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n/an/a 43n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175773
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C35H45N5O4/c1-6-7-16-40-33-27(14-11-15-37-33)30(24-12-10-13-26(19-24)44-18-9-8-17-41)32(34(40)42)39-35(43)38-31-28(22(2)3)20-25(36)21-29(31)23(4)5/h10-15,19-23,41H,6-9,16-18,36H2,1-5H3,(H2,38,39,43)
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n/an/a 61n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175769
PNG
(1-(4-(aminomethyl)-2,6-diisopropylphenyl)-3-(1-but...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cc(CN)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C33H41N5O3/c1-7-8-15-38-31-25(13-10-14-35-31)28(23-11-9-12-24(18-23)41-6)30(32(38)39)37-33(40)36-29-26(20(2)3)16-22(19-34)17-27(29)21(4)5/h9-14,16-18,20-21H,7-8,15,19,34H2,1-6H3,(H2,36,37,40)
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n/an/a 382n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175768
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-2-oxo...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCN3CCCC3)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C38H50N6O3/c1-6-7-20-44-36-30(15-11-16-40-36)33(27-13-10-14-29(22-27)47-21-12-19-43-17-8-9-18-43)35(37(44)45)42-38(46)41-34-31(25(2)3)23-28(39)24-32(34)26(4)5/h10-11,13-16,22-26H,6-9,12,17-21,39H2,1-5H3,(H2,41,42,46)
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Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175764
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCN(CC)CC)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C38H52N6O3/c1-8-11-20-44-36-30(17-13-18-40-36)33(27-15-12-16-29(22-27)47-21-14-19-43(9-2)10-3)35(37(44)45)42-38(46)41-34-31(25(4)5)23-28(39)24-32(34)26(6)7/h12-13,15-18,22-26H,8-11,14,19-21,39H2,1-7H3,(H2,41,42,46)
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Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175763
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-2-oxo...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCN3CCCCC3)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C39H52N6O3/c1-6-7-21-45-37-31(16-12-17-41-37)34(28-14-11-15-30(23-28)48-22-13-20-44-18-9-8-10-19-44)36(38(45)46)43-39(47)42-35-32(26(2)3)24-29(40)25-33(35)27(4)5/h11-12,14-17,23-27H,6-10,13,18-22,40H2,1-5H3,(H2,42,43,47)
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Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175774
PNG
(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cc(CN(CC)CC)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C37H49N5O3/c1-9-12-19-42-35-29(17-14-18-38-35)32(27-15-13-16-28(22-27)45-8)34(36(42)43)40-37(44)39-33-30(24(4)5)20-26(21-31(33)25(6)7)23-41(10-2)11-3/h13-18,20-22,24-25H,9-12,19,23H2,1-8H3,(H2,39,40,44)
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n/an/a 680n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50040413
PNG
((S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-t...)
Show SMILES CC(C)C[C@H](NP(O)(=O)OC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12?,16-,17-,18?,19?,20?,23?/m0/s1
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Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM50339130
PNG
(4-(2-chloro-10H-phenothiazin-10-yl)butan-1-amine |...)
Show SMILES NCCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H17ClN2S/c17-12-7-8-16-14(11-12)19(10-4-3-9-18)13-5-1-2-6-15(13)20-16/h1-2,5-8,11H,3-4,9-10,18H2
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n/an/a 700n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175770
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C33H41N5O4/c1-6-7-14-38-31-25(12-9-13-35-31)28(22-10-8-11-24(17-22)42-16-15-39)30(32(38)40)37-33(41)36-29-26(20(2)3)18-23(34)19-27(29)21(4)5/h8-13,17-21,39H,6-7,14-16,34H2,1-5H3,(H2,36,37,41)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM50339131
PNG
(4-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)buta...)
Show SMILES NCCCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2S/c18-17(19,20)12-7-8-16-14(11-12)22(10-4-3-9-21)13-5-1-2-6-15(13)23-16/h1-2,5-8,11H,3-4,9-10,21H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM50130273
PNG
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM78434
PNG
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM78436
PNG
(2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl...)
Show SMILES CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50112394
PNG
(5-{(2Z)-2-[[(E)-(4-propylphenyl)diazenyl](phenyl)m...)
Show SMILES CCCc1ccc(NN=C(N=Nc2nnnn2-c2ccccc2)c2ccccc2)cc1 |w:10.9,8.7|
Show InChI InChI=1S/C23H22N8/c1-2-9-18-14-16-20(17-15-18)24-25-22(19-10-5-3-6-11-19)26-27-23-28-29-30-31(23)21-12-7-4-8-13-21/h3-8,10-17,24H,2,9H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50112393
PNG
(5-{(2Z)-2-[[(E)-(4-secbutylphenyl)diazenyl](phenyl...)
Show SMILES CCC(C)c1ccc(NN=C(N=Nc2nnnn2-c2ccccc2)c2ccccc2)cc1 |w:11.10,9.8|
Show InChI InChI=1S/C24H24N8/c1-3-18(2)19-14-16-21(17-15-19)25-26-23(20-10-6-4-7-11-20)27-28-24-29-30-31-32(24)22-12-8-5-9-13-22/h4-18,25H,3H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM50339133
PNG
(4-(10H-phenothiazin-10-yl)butan-1-amine | CHEMBL16...)
Show SMILES NCCCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C16H18N2S/c17-11-5-6-12-18-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)18/h1-4,7-10H,5-6,11-12,17H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM50339134
PNG
(3-(2-Chloro-phenothiazin-10-yl)-propylamine | 3-(2...)
Show SMILES NCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C15H15ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,8-9,17H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50112401
PNG
(5-{(2Z)-2-[[(E)-(4-isopropylphenyl)diazenyl](pheny...)
Show SMILES CC(C)c1ccc(NN=C(N=Nc2nnnn2-c2ccccc2)c2ccccc2)cc1 |w:10.9,8.7|
Show InChI InChI=1S/C23H22N8/c1-17(2)18-13-15-20(16-14-18)24-25-22(19-9-5-3-6-10-19)26-27-23-28-29-30-31(23)21-11-7-4-8-12-21/h3-17,24H,1-2H3
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Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50112396
PNG
(5-{(2Z)-2-[[(E)-(4-cyclohexylphenyl)diazenyl](phen...)
Show SMILES C1CCC(CC1)c1ccc(NN=C(N=Nc2nnnn2-c2ccccc2)c2ccccc2)cc1 |w:13.13,11.11|
Show InChI InChI=1S/C26H26N8/c1-4-10-20(11-5-1)21-16-18-23(19-17-21)27-28-25(22-12-6-2-7-13-22)29-30-26-31-32-33-34(26)24-14-8-3-9-15-24/h2-3,6-9,12-20,27H,1,4-5,10-11H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50112398
PNG
(5-{(2Z)-2-[[(E)-(4-ethylphenyl)diazenyl](phenyl)me...)
Show SMILES CCc1ccc(NN=C(N=Nc2nnnn2-c2ccccc2)c2ccccc2)cc1 |w:9.8,7.6|
Show InChI InChI=1S/C22H20N8/c1-2-17-13-15-19(16-14-17)23-24-21(18-9-5-3-6-10-18)25-26-22-27-28-29-30(22)20-11-7-4-8-12-20/h3-16,23H,2H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
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