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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'smith' and Initial = 'hd'   
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
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 4.60n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470654
PNG
(CHEMBL141019)
Show SMILES CCc1cc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ncccc2n1
Show InChI InChI=1S/C23H18N6S/c1-2-16-14-21(22-20(25-16)8-5-13-24-22)30-17-11-9-15(10-12-17)18-6-3-4-7-19(18)23-26-28-29-27-23/h3-14H,2H2,1H3,(H,26,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50003392
PNG
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H19N5O/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
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n/an/a 31n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50029659
PNG
(2-Methyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylsul...)
Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C23H17N5S/c1-15-14-22(20-8-4-5-9-21(20)24-15)29-17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-25-27-28-26-23/h2-14H,1H3,(H,25,26,27,28)
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n/an/a 96n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50003391
PNG
(2-Methyl-4-{2-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES Cc1cc(CCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H21N5/c1-17-16-20(22-7-4-5-9-24(22)26-17)15-12-18-10-13-19(14-11-18)21-6-2-3-8-23(21)25-27-29-30-28-25/h2-11,13-14,16H,12,15H2,1H3,(H,27,28,29,30)
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n/an/a 270n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470658
PNG
(CHEMBL142409)
Show SMILES Cc1nc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C22H16N6S/c1-14-23-20-9-5-4-8-19(20)22(24-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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n/an/a 350n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50003406
PNG
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES Cc1cc(SCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H19N5S/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
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n/an/a 370n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470655
PNG
(CHEMBL341724)
Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)ccn1
Show InChI InChI=1S/C19H15N5S/c1-13-12-16(10-11-20-13)25-15-8-6-14(7-9-15)17-4-2-3-5-18(17)19-21-23-24-22-19/h2-12H,1H3,(H,21,22,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470656
PNG
(CHEMBL358791)
Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn(n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C42H31N5S/c1-30-29-40(38-23-13-14-24-39(38)43-30)48-35-27-25-31(26-28-35)36-21-11-12-22-37(36)41-44-46-47(45-41)42(32-15-5-2-6-16-32,33-17-7-3-8-18-33)34-19-9-4-10-20-34/h2-29H,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470659
PNG
(CHEMBL358044)
Show SMILES Cc1cc(c2ccccc2[n+]1[O-])S(=O)(=O)c1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C23H17N5O3S/c1-15-14-22(20-8-4-5-9-21(20)28(15)29)32(30,31)17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-24-26-27-25-23/h2-14H,1H3,(H,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470657
PNG
(CHEMBL142300)
Show SMILES Cc1nc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2cc[nH]c2n1
Show InChI InChI=1S/C20H15N7S/c1-12-22-18-17(10-11-21-18)20(23-12)28-14-8-6-13(7-9-14)15-4-2-3-5-16(15)19-24-26-27-25-19/h2-11H,1H3,(H,21,22,23)(H,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair