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Compile Data Set for Download or QSAR

Found 430 hits with Last Name = 'hutchins' and Initial = 'sm'   
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
Renal dipeptidase


(GUINEA PIG)
BDBM50042574
PNG
(5-Butyl-2-(2,5-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-18-21(31)15-16-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)
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8.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042531
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)
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1.70E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042561
PNG
(5-Butyl-2-(2-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl
Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-26-24(28(30(38)39-4-2)37(34-26)27-14-9-8-12-25(27)31)19-20-15-17-21(18-16-20)22-10-6-7-11-23(22)29-32-35-36-33-29/h6-12,14-18H,3-5,13,19H2,1-2H3,(H,32,33,35,36)
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2.50E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042579
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C30H30N6O2/c1-3-5-15-27-26(28(30(37)38-4-2)36(33-27)23-11-7-6-8-12-23)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)29-31-34-35-32-29/h6-14,16-19H,3-5,15,20H2,1-2H3,(H,31,32,34,35)
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2.50E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042542
PNG
(5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)
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3.10E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042559
PNG
(5-Butyl-2-(2-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-24-22(26(28(36)37)35(32-24)25-12-7-6-10-23(25)29)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-30-33-34-31-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,36,37)(H,30,31,33,34)
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3.50E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042577
PNG
(5-Butyl-2-(2,5-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-16-19(29)13-14-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)
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3.80E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042564
PNG
(5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-10-27-26(28(30(38)39-4-2)37(34-27)23-17-15-22(31)16-18-23)19-20-11-13-21(14-12-20)24-8-6-7-9-25(24)29-32-35-36-33-29/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,32,33,35,36)
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3.80E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042578
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H25F3N6O2/c1-2-3-11-24-22(26(28(39)40)38(35-24)25-12-7-6-10-23(25)29(30,31)32)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-33-36-37-34-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,39,40)(H,33,34,36,37)
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3.80E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042543
PNG
(5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-14-13-19(29)16-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)
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4.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042558
PNG
(2-Biphenyl-2-yl-5-butyl-4-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C34H30N6O2/c1-2-3-16-30-29(22-23-18-20-25(21-19-23)26-13-7-8-15-28(26)33-35-38-39-36-33)32(34(41)42)40(37-30)31-17-10-9-14-27(31)24-11-5-4-6-12-24/h4-15,17-21H,2-3,16,22H2,1H3,(H,41,42)(H,35,36,38,39)
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4.20E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042535
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)
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4.25E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042556
PNG
(5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-8-25-24(26(28(36)37)35(32-25)21-15-13-20(29)14-16-21)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)27-30-33-34-31-27/h4-7,9-16H,2-3,8,17H2,1H3,(H,36,37)(H,30,31,33,34)
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4.30E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042548
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)
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4.50E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042528
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)
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4.50E+5n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042569
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
Show InChI InChI=1S/C29H28N6O2/c1-3-4-12-25-24(27(29(36)37)35(32-25)26-13-8-5-9-19(26)2)18-20-14-16-21(17-15-20)22-10-6-7-11-23(22)28-30-33-34-31-28/h5-11,13-17H,3-4,12,18H2,1-2H3,(H,36,37)(H,30,31,33,34)
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4.70E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042568
PNG
(5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-16-15-21(31)18-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)
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4.80E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042565
PNG
(5-Butyl-2-(2,6-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-11-24-21(25(28(37)38)36(33-24)26-22(29)9-6-10-23(26)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-10,12-15H,2-3,11,16H2,1H3,(H,37,38)(H,31,32,34,35)
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5.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042555
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H26N6O2/c1-2-3-13-25-24(26(28(35)36)34(31-25)21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18H2,1H3,(H,35,36)(H,29,30,32,33)
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5.90E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042544
PNG
(5-Butyl-2-(2-nitro-phenyl)-4-[2'-(1H-tetrazol-5-yl...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C28H25N7O4/c1-2-3-10-23-22(26(28(36)37)34(31-23)24-11-6-7-12-25(24)35(38)39)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-29-32-33-30-27/h4-9,11-16H,2-3,10,17H2,1H3,(H,36,37)(H,29,30,32,33)
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6.40E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Renal dipeptidase


(GUINEA PIG)
BDBM50042576
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl3N6O2/c1-2-3-8-24-21(25(28(38)39)37(34-24)26-22(30)14-18(29)15-23(26)31)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)27-32-35-36-33-27/h4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,38,39)(H,32,33,35,36)
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8.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.


Bioorg Med Chem Lett 9: 2741-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00458-8
BindingDB Entry DOI: 10.7270/Q24Q7T6C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035445
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C33H28ClF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039862
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1F
Show InChI InChI=1S/C33H28F4N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039880
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CCCCC1
Show InChI InChI=1S/C33H35F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h7-10,13-16,18-21,25H,2-6,11-12,17,22H2,1H3,(H,38,41)
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039929
PNG
(2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)C(C)C
Show InChI InChI=1S/C29H31F3N4O5S2/c1-4-5-14-27-33-36(25-12-8-7-11-24(25)29(30,31)32)28(37)35(27)19-21-15-17-22(18-16-21)23-10-6-9-13-26(23)43(40,41)34-42(38,39)20(2)3/h6-13,15-18,20,34H,4-5,14,19H2,1-3H3
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039882
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cc(C)oc1C(F)(F)F
Show InChI InChI=1S/C33H28F6N4O5S/c1-3-4-13-28-40-43(26-11-7-6-10-25(26)32(34,35)36)31(45)42(28)19-21-14-16-22(17-15-21)23-9-5-8-12-27(23)49(46,47)41-30(44)24-18-20(2)48-29(24)33(37,38)39/h5-12,14-18H,3-4,13,19H2,1-2H3,(H,41,44)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039887
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C35H29F3N4O5S/c1-2-3-16-32-39-42(28-13-7-6-12-27(28)35(36,37)38)34(44)41(32)22-23-17-19-24(20-18-23)26-11-5-9-15-31(26)48(45,46)40-33(43)30-21-25-10-4-8-14-29(25)47-30/h4-15,17-21H,2-3,16,22H2,1H3,(H,40,43)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042565
PNG
(5-Butyl-2-(2,6-dichloro-phenyl)-4-[2'-(1H-tetrazol...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-11-24-21(25(28(37)38)36(33-24)26-22(29)9-6-10-23(26)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-10,12-15H,2-3,11,16H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a 0.180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039930
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1occ(Cl)c1Cl
Show InChI InChI=1S/C31H25Cl2F3N4O5S/c1-2-3-12-26-37-40(24-10-6-5-9-22(24)31(34,35)36)30(42)39(26)17-19-13-15-20(16-14-19)21-8-4-7-11-25(21)46(43,44)38-29(41)28-27(33)23(32)18-45-28/h4-11,13-16,18H,2-3,12,17H2,1H3,(H,38,41)
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n/an/a 0.190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042571
PNG
(2-Benzyl-5-butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(Cc2ccccc2)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H28N6O2/c1-2-3-13-26-25(27(29(36)37)35(32-26)19-21-9-5-4-6-10-21)18-20-14-16-22(17-15-20)23-11-7-8-12-24(23)28-30-33-34-31-28/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039895
PNG
(2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H29F3N4O5S2/c1-2-3-17-30-36-39(28-15-9-8-14-27(28)32(33,34)35)31(40)38(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)46(43,44)37-45(41,42)25-11-5-4-6-12-25/h4-16,18-21,37H,2-3,17,22H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039921
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1occc1C
Show InChI InChI=1S/C32H29F3N4O5S/c1-3-4-13-28-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(28)20-22-14-16-23(17-15-22)24-9-5-8-12-27(24)45(42,43)37-30(40)29-21(2)18-19-44-29/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)
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n/an/a 0.210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039899
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1oc(C)cc1C
Show InChI InChI=1S/C33H31F3N4O5S/c1-4-5-14-29-37-40(27-12-8-7-11-26(27)33(34,35)36)32(42)39(29)20-23-15-17-24(18-16-23)25-10-6-9-13-28(25)46(43,44)38-31(41)30-21(2)19-22(3)45-30/h6-13,15-19H,4-5,14,20H2,1-3H3,(H,38,41)
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n/an/a 0.220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039946
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1(C)SCCS1
Show InChI InChI=1S/C31H31F3N4O4S3/c1-3-4-13-27-35-38(25-11-7-6-10-24(25)31(32,33)34)29(40)37(27)20-21-14-16-22(17-15-21)23-9-5-8-12-26(23)45(41,42)36-28(39)30(2)43-18-19-44-30/h5-12,14-17H,3-4,13,18-20H2,1-2H3,(H,36,39)
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n/an/a 0.220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042578
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H25F3N6O2/c1-2-3-11-24-22(26(28(39)40)38(35-24)25-12-7-6-10-23(25)29(30,31)32)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-33-36-37-34-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,39,40)(H,33,34,36,37)
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n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042570
PNG
(5-Butyl-2-phenethyl-4-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCCCc1nn(CCc2ccccc2)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H30N6O2/c1-2-3-13-27-26(28(30(37)38)36(33-27)19-18-21-9-5-4-6-10-21)20-22-14-16-23(17-15-22)24-11-7-8-12-25(24)29-31-34-35-32-29/h4-12,14-17H,2-3,13,18-20H2,1H3,(H,37,38)(H,31,32,34,35)
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n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039922
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccco1
Show InChI InChI=1S/C31H27F3N4O5S/c1-2-3-14-28-35-38(25-11-6-5-10-24(25)31(32,33)34)30(40)37(28)20-21-15-17-22(18-16-21)23-9-4-7-13-27(23)44(41,42)36-29(39)26-12-8-19-43-26/h4-13,15-19H,2-3,14,20H2,1H3,(H,36,39)
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n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039885
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1sccc1Cl
Show InChI InChI=1S/C31H26ClF3N4O4S2/c1-2-3-12-27-36-39(25-10-6-5-9-23(25)31(33,34)35)30(41)38(27)19-20-13-15-21(16-14-20)22-8-4-7-11-26(22)45(42,43)37-29(40)28-24(32)17-18-44-28/h4-11,13-18H,2-3,12,19H2,1H3,(H,37,40)
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n/an/a 0.270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039926
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C34H28F6N4O4S/c1-2-3-16-30-41-44(28-14-8-7-13-27(28)34(38,39)40)32(46)43(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)49(47,48)42-31(45)25-11-4-6-12-26(25)33(35,36)37/h4-15,17-20H,2-3,16,21H2,1H3,(H,42,45)
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n/an/a 0.270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50009718
PNG
(2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039904
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CCCCCC1
Show InChI InChI=1S/C34H37F3N4O4S/c1-2-3-18-31-38-41(29-16-10-9-15-28(29)34(35,36)37)33(43)40(31)23-24-19-21-25(22-20-24)27-14-8-11-17-30(27)46(44,45)39-32(42)26-12-6-4-5-7-13-26/h8-11,14-17,19-22,26H,2-7,12-13,18,23H2,1H3,(H,39,42)
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039938
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C35H29F3N4O4S2/c1-2-3-16-32-39-42(28-13-7-6-12-27(28)35(36,37)38)34(44)41(32)22-23-17-19-24(20-18-23)26-11-5-9-15-31(26)48(45,46)40-33(43)30-21-25-10-4-8-14-29(25)47-30/h4-15,17-21H,2-3,16,22H2,1H3,(H,40,43)
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n/an/a 0.310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039924
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CCCC1
Show InChI InChI=1S/C32H33F3N4O4S/c1-2-3-16-29-36-39(27-14-8-7-13-26(27)32(33,34)35)31(41)38(29)21-22-17-19-23(20-18-22)25-12-6-9-15-28(25)44(42,43)37-30(40)24-10-4-5-11-24/h6-9,12-15,17-20,24H,2-5,10-11,16,21H2,1H3,(H,37,40)
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042559
PNG
(5-Butyl-2-(2-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl
Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-24-22(26(28(36)37)35(32-24)25-12-7-6-10-23(25)29)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-30-33-34-31-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3595-605 (1994)


Article DOI: 10.1021/jm00075a014
BindingDB Entry DOI: 10.7270/Q25Q4V5H
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039894
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1SCCS1
Show InChI InChI=1S/C30H29F3N4O4S3/c1-2-3-12-26-34-37(24-10-6-5-9-23(24)30(31,32)33)29(39)36(26)19-20-13-15-21(16-14-20)22-8-4-7-11-25(22)44(40,41)35-27(38)28-42-17-18-43-28/h4-11,13-16,28H,2-3,12,17-19H2,1H3,(H,35,38)
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039853
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CC1(C)C
Show InChI InChI=1S/C32H33F3N4O4S/c1-4-5-14-28-36-39(26-12-8-7-11-24(26)32(33,34)35)30(41)38(28)20-21-15-17-22(18-16-21)23-10-6-9-13-27(23)44(42,43)37-29(40)25-19-31(25,2)3/h6-13,15-18,25H,4-5,14,19-20H2,1-3H3,(H,37,40)
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n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039858
PNG
(4'-[5-Oxo-3-(4,4,4-trifluoro-butyl)-1-(2-trifluoro...)
Show SMILES FC(F)(F)CCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C33H25ClF6N4O4S/c34-26-11-4-1-9-24(26)30(45)42-49(47,48)28-13-6-2-8-23(28)22-17-15-21(16-18-22)20-43-29(14-7-19-32(35,36)37)41-44(31(43)46)27-12-5-3-10-25(27)33(38,39)40/h1-6,8-13,15-18H,7,14,19-20H2,(H,42,45)
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n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039870
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1(C)CC1(Cl)Cl
Show InChI InChI=1S/C31H29Cl2F3N4O4S/c1-3-4-13-26-37-40(24-11-7-6-10-23(24)31(34,35)36)28(42)39(26)18-20-14-16-21(17-15-20)22-9-5-8-12-25(22)45(43,44)38-27(41)29(2)19-30(29,32)33/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,38,41)
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n/an/a 0.370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039865
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1C2CCC(C2)C1=C
Show InChI InChI=1S/C35H35F3N4O4S/c1-3-4-13-31-39-42(29-11-7-6-10-28(29)35(36,37)38)34(44)41(31)21-23-14-16-24(17-15-23)27-9-5-8-12-30(27)47(45,46)40-33(43)32-22(2)25-18-19-26(32)20-25/h5-12,14-17,25-26,32H,2-4,13,18-21H2,1H3,(H,40,43)
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n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039863
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Br
Show InChI InChI=1S/C33H28BrF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
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