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Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'porter' and Initial = 'b'   
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
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051895
PNG
(2-(2,4-Dioxa-spiro[5.5]undec-3-yl)-4,5-diphenyl-1H...)
Show SMILES C1CCC2(CC1)COC(OC2)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26)
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n/an/a 4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085853
PNG
(CHEMBL173251 | Sodium; [2-cyano-5-(pyridin-4-ylmet...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C([O-])=O
Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)/p-1
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n/an/a 5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065516
PNG
((R)-4-[2-Cyano-5-(pyridin-3-ylmethoxy)-phenoxy]-4-...)
Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cccnc2)ccc1C#N
Show InChI InChI=1S/C24H22N2O4/c1-17-5-2-3-7-21(17)22(10-11-24(27)28)30-23-13-20(9-8-19(23)14-25)29-16-18-6-4-12-26-15-18/h2-9,12-13,15,22H,10-11,16H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065508
PNG
((R)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4...)
Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N
Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/t21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085845
PNG
(CHEMBL174235 | [5-(Benzooxazol-6-ylmethoxy)-2-cyan...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3ncoc3c2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C24H18N2O5/c1-15-4-2-3-5-19(15)23(24(27)28)31-21-11-18(8-7-17(21)12-25)29-13-16-6-9-20-22(10-16)30-14-26-20/h2-11,14,23H,13H2,1H3,(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085859
PNG
((2-Chloro-phenyl)-[2-cyano-5-(pyridin-4-ylmethoxy)...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccncc2)ccc1C#N)c1ccccc1Cl
Show InChI InChI=1S/C21H15ClN2O4/c22-18-4-2-1-3-17(18)20(21(25)26)28-19-11-16(6-5-15(19)12-23)27-13-14-7-9-24-10-8-14/h1-11,20H,13H2,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065518
PNG
(4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-t...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N
Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065523
PNG
((R)-4-[2-Cyano-5-(isothiazol-4-ylmethoxy)-phenoxy]...)
Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cnsc2)ccc1C#N
Show InChI InChI=1S/C22H20N2O4S/c1-15-4-2-3-5-19(15)20(8-9-22(25)26)28-21-10-18(7-6-17(21)11-23)27-13-16-12-24-29-14-16/h2-7,10,12,14,20H,8-9,13H2,1H3,(H,25,26)/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065524
PNG
(5-[2-(3-Carboxy-1-o-tolyl-propoxy)-4-(thiophen-3-y...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C26H24N2O6S/c1-16-4-2-3-5-19(16)23(8-9-25(29)30)34-24-12-18(33-14-17-10-11-35-15-17)6-7-20(24)21-13-22(26(31)32)28-27-21/h2-7,10-13,15,23H,8-9,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085833
PNG
(CHEMBL172144 | Sodium; [5-(benzo[1,3]dioxol-5-ylme...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C([O-])=O
Show InChI InChI=1S/C24H19NO6/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)/p-1
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n/an/a 7n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065518
PNG
(4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-t...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N
Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% Et-1 binding to endothelin A receptor in rat A-10 cells.


J Med Chem 41: 2745-53 (1998)


Article DOI: 10.1021/jm970847e
BindingDB Entry DOI: 10.7270/Q2PN94SR
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085861
PNG
(CHEMBL170681 | [5-(Benzooxazol-6-ylmethoxy)-2-cyan...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3ncoc3c2)ccc1C#N)c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN2O5/c24-18-4-2-1-3-17(18)22(23(27)28)31-20-10-16(7-6-15(20)11-25)29-12-14-5-8-19-21(9-14)30-13-26-19/h1-10,13,22H,12H2,(H,27,28)
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n/an/a 9n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085831
PNG
(CHEMBL174092 | [2-Cyano-5-(pyridin-4-ylmethoxy)-ph...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50051894
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C35H42N4O3/c1-35(19-9-10-20-38-21-23-39(24-22-38)29-15-17-30(40-2)18-16-29)25-41-34(42-26-35)33-36-31(27-11-5-3-6-12-27)32(37-33)28-13-7-4-8-14-28/h3-8,11-18,34H,9-10,19-26H2,1-2H3,(H,36,37)
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085830
PNG
(CHEMBL173792 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C24H19NO6/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085838
PNG
(CHEMBL352536 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1Cl
Show InChI InChI=1S/C23H16ClNO6/c24-18-4-2-1-3-17(18)22(23(26)27)31-20-10-16(7-6-15(20)11-25)28-12-14-5-8-19-21(9-14)30-13-29-19/h1-10,22H,12-13H2,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50329850
PNG
((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051897
PNG
(2-(5,5-Diethyl-[1,3]dioxan-2-yl)-4,5-diphenyl-1H-i...)
Show SMILES CCC1(CC)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c1-3-23(4-2)15-26-22(27-16-23)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h5-14,22H,3-4,15-16H2,1-2H3,(H,24,25)
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n/an/a 15n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085855
PNG
(CHEMBL170202 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c25-24(26,27)18-4-2-1-3-17(18)22(23(29)30)34-20-10-16(7-6-15(20)11-28)31-12-14-5-8-19-21(9-14)33-13-32-19/h1-10,22H,12-13H2,(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085840
PNG
((2-Chloro-phenyl)-[2-cyano-5-(thiophen-3-ylmethoxy...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1Cl
Show InChI InChI=1S/C20H14ClNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)
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n/an/a 17n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085835
PNG
(CHEMBL427294 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccsc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C21H17NO4S/c1-14-4-2-3-5-18(14)20(21(23)24)26-19-10-17(7-6-16(19)11-22)25-12-15-8-9-27-13-15/h2-10,13,20H,12H2,1H3,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065515
PNG
((R)-4-[2-Cyano-5-(pyridin-4-ylmethoxy)-phenoxy]-4-...)
Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccncc2)ccc1C#N
Show InChI InChI=1S/C24H22N2O4/c1-17-4-2-3-5-21(17)22(8-9-24(27)28)30-23-14-20(7-6-19(23)15-25)29-16-18-10-12-26-13-11-18/h2-7,10-14,22H,8-9,16H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051881
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065525
PNG
(4-[2-(1H-Pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)-ph...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1cc[nH]n1
Show InChI InChI=1S/C25H24N2O4S/c1-17-4-2-3-5-20(17)23(8-9-25(28)29)31-24-14-19(30-15-18-11-13-32-16-18)6-7-21(24)22-10-12-26-27-22/h2-7,10-14,16,23H,8-9,15H2,1H3,(H,26,27)(H,28,29)
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n/an/a 20n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065513
PNG
(4-[2-Oxazol-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ncco1
Show InChI InChI=1S/C25H23NO5S/c1-17-4-2-3-5-20(17)22(8-9-24(27)28)31-23-14-19(30-15-18-10-13-32-16-18)6-7-21(23)25-26-11-12-29-25/h2-7,10-14,16,22H,8-9,15H2,1H3,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085854
PNG
(CHEMBL171638 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1F
Show InChI InChI=1S/C20H14FNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085832
PNG
(CHEMBL171513 | [2-Cyano-5-(2-fluoro-pyridin-4-ylme...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccnc(F)c2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C22H17FN2O4/c1-14-4-2-3-5-18(14)21(22(26)27)29-19-11-17(7-6-16(19)12-24)28-13-15-8-9-25-20(23)10-15/h2-11,21H,13H2,1H3,(H,26,27)
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n/an/a 23n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051881
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)
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n/an/a 25n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 25n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065521
PNG
(4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-...)
Show SMILES CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)
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n/an/a 26n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065512
PNG
(4-[2-Carbamoyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C(N)=O
Show InChI InChI=1S/C23H23NO5S/c1-15-4-2-3-5-18(15)20(8-9-22(25)26)29-21-12-17(6-7-19(21)23(24)27)28-13-16-10-11-30-14-16/h2-7,10-12,14,20H,8-9,13H2,1H3,(H2,24,27)(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085839
PNG
(CHEMBL170348 | [2-Cyano-5-(pyridin-3-ylmethoxy)-ph...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2cccnc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C22H18N2O4/c1-15-5-2-3-7-19(15)21(22(25)26)28-20-11-18(9-8-17(20)12-23)27-14-16-6-4-10-24-13-16/h2-11,13,21H,14H2,1H3,(H,25,26)
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n/an/a 30n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085864
PNG
(CHEMBL354740 | [2-Cyano-5-(thiazol-5-ylmethoxy)-ph...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2cncs2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C20H16N2O4S/c1-13-4-2-3-5-17(13)19(20(23)24)26-18-8-15(7-6-14(18)9-21)25-11-16-10-22-12-27-16/h2-8,10,12,19H,11H2,1H3,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065520
PNG
(4-[2-Pyridin-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ccccn1
Show InChI InChI=1S/C27H25NO4S/c1-19-6-2-3-7-22(19)25(11-12-27(29)30)32-26-16-21(31-17-20-13-15-33-18-20)9-10-23(26)24-8-4-5-14-28-24/h2-10,13-16,18,25H,11-12,17H2,1H3,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085856
PNG
(CHEMBL355413 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C23H17NO6/c24-12-17-7-8-18(27-13-15-6-9-19-21(10-15)29-14-28-19)11-20(17)30-22(23(25)26)16-4-2-1-3-5-16/h1-11,22H,13-14H2,(H,25,26)
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n/an/a 41n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085858
PNG
((2-Chloro-phenyl)-[2-cyano-5-(pyridazin-4-ylmethox...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccnnc2)ccc1C#N)c1ccccc1Cl
Show InChI InChI=1S/C20H14ClN3O4/c21-17-4-2-1-3-16(17)19(20(25)26)28-18-9-15(6-5-14(18)10-22)27-12-13-7-8-23-24-11-13/h1-9,11,19H,12H2,(H,25,26)
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n/an/a 44n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085860
PNG
((5-Benzyloxy-2-cyano-phenoxy)-o-tolyl-acetic acid ...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccccc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C23H19NO4/c1-16-7-5-6-10-20(16)22(23(25)26)28-21-13-19(12-11-18(21)14-24)27-15-17-8-3-2-4-9-17/h2-13,22H,15H2,1H3,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50051888
PNG
(CHEMBL284378 | {4-[2-(4,5-Diphenyl-1H-imidazol-2-y...)
Show SMILES CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C30H34N4O2/c1-30(18-10-12-20-34(2)25-17-9-11-19-31-25)21-35-29(36-22-30)28-32-26(23-13-5-3-6-14-23)27(33-28)24-15-7-4-8-16-24/h3-9,11,13-17,19,29H,10,12,18,20-22H2,1-2H3,(H,32,33)
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n/an/a 50n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50051898
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCN(CC2)c2nccs2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H37N5O2S/c1-31(14-8-9-16-35-17-19-36(20-18-35)30-32-15-21-39-30)22-37-29(38-23-31)28-33-26(24-10-4-2-5-11-24)27(34-28)25-12-6-3-7-13-25/h2-7,10-13,15,21,29H,8-9,14,16-20,22-23H2,1H3,(H,33,34)
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n/an/a 50n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085844
PNG
((2-Bromo-phenyl)-[2-cyano-5-(thiophen-3-ylmethoxy)...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1Br
Show InChI InChI=1S/C20H14BrNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)
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n/an/a 51n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085837
PNG
(CHEMBL170715 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H14F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)19(20(26)27)29-18-9-15(6-5-14(18)10-25)28-11-13-7-8-30-12-13/h1-9,12,19H,11H2,(H,26,27)
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n/an/a 53n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051881
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)
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n/an/a 55n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50051890
PNG
(2-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCc3ccccc3C2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H37N3O2/c1-33(19-10-11-20-36-21-18-25-12-8-9-17-28(25)22-36)23-37-32(38-24-33)31-34-29(26-13-4-2-5-14-26)30(35-31)27-15-6-3-7-16-27/h2-9,12-17,32H,10-11,18-24H2,1H3,(H,34,35)
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n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50051883
PNG
(1-{5-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C30H36N4O2/c1-22-19-23(2)34(33-22)18-12-6-11-17-30(3)20-35-29(36-21-30)28-31-26(24-13-7-4-8-14-24)27(32-28)25-15-9-5-10-16-25/h4-5,7-10,13-16,19,29H,6,11-12,17-18,20-21H2,1-3H3,(H,31,32)
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n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the activity of human Acyl coenzyme A:cholesterol ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085836
PNG
(CHEMBL172412 | [2-Cyano-5-(furan-3-ylmethoxy)-phen...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccoc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C21H17NO5/c1-14-4-2-3-5-18(14)20(21(23)24)27-19-10-17(7-6-16(19)11-22)26-13-15-8-9-25-12-15/h2-10,12,20H,13H2,1H3,(H,23,24)
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n/an/a 68n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50065522
PNG
((R)-4-[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-ph...)
Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N
Show InChI InChI=1S/C26H23NO6/c1-17-4-2-3-5-21(17)22(10-11-26(28)29)33-24-13-20(8-7-19(24)14-27)30-15-18-6-9-23-25(12-18)32-16-31-23/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,28,29)/t22-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085852
PNG
(CHEMBL174229 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C20H15NO4S/c21-11-16-6-7-17(24-12-14-8-9-26-13-14)10-18(16)25-19(20(22)23)15-4-2-1-3-5-15/h1-10,13,19H,12H2,(H,22,23)
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n/an/a 70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
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