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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50029266   
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)
BDBM50212952
PNG
(CHEMBL46150)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1OCC=C1 |c:41|
Show InChI InChI=1S/C30H28N6O2/c1-2-3-10-28-31-26-16-15-22(27-9-6-17-38-27)18-25(26)30(37)36(28)19-20-11-13-21(14-12-20)23-7-4-5-8-24(23)29-32-34-35-33-29/h4-9,11-16,18,27H,2-3,10,17,19H2,1H3,(H,32,33,34,35)
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Article
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.


Bioorg Med Chem Lett 4: 1703-1708 (1994)


Article DOI: 10.1016/S0960-894X(00)80365-0
BindingDB Entry DOI: 10.7270/Q2JS9QB3
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)
BDBM50049207
PNG
(2-Butyl-6-(1-methoxy-1-methyl-ethyl)-3-[2'-(1H-tet...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)OC
Show InChI InChI=1S/C30H32N6O2/c1-5-6-11-27-31-26-17-16-22(30(2,3)38-4)18-25(26)29(37)36(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28-32-34-35-33-28/h7-10,12-18H,5-6,11,19H2,1-4H3,(H,32,33,34,35)
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Article
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.


Bioorg Med Chem Lett 4: 1703-1708 (1994)


Article DOI: 10.1016/S0960-894X(00)80365-0
BindingDB Entry DOI: 10.7270/Q2JS9QB3
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)
BDBM50212954
PNG
(CHEMBL295114)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1CCCO1
Show InChI InChI=1S/C30H30N6O2/c1-2-3-10-28-31-26-16-15-22(27-9-6-17-38-27)18-25(26)30(37)36(28)19-20-11-13-21(14-12-20)23-7-4-5-8-24(23)29-32-34-35-33-29/h4-5,7-8,11-16,18,27H,2-3,6,9-10,17,19H2,1H3,(H,32,33,34,35)
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Article
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.


Bioorg Med Chem Lett 4: 1703-1708 (1994)


Article DOI: 10.1016/S0960-894X(00)80365-0
BindingDB Entry DOI: 10.7270/Q2JS9QB3
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)
BDBM50212953
PNG
(CHEMBL47914)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cccs1
Show InChI InChI=1S/C30H26N6OS/c1-2-3-10-28-31-26-16-15-22(27-9-6-17-38-27)18-25(26)30(37)36(28)19-20-11-13-21(14-12-20)23-7-4-5-8-24(23)29-32-34-35-33-29/h4-9,11-18H,2-3,10,19H2,1H3,(H,32,33,34,35)
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Article
n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.


Bioorg Med Chem Lett 4: 1703-1708 (1994)


Article DOI: 10.1016/S0960-894X(00)80365-0
BindingDB Entry DOI: 10.7270/Q2JS9QB3
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)
BDBM50212951
PNG
(CHEMBL47449)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccco1
Show InChI InChI=1S/C30H26N6O2/c1-2-3-10-28-31-26-16-15-22(27-9-6-17-38-27)18-25(26)30(37)36(28)19-20-11-13-21(14-12-20)23-7-4-5-8-24(23)29-32-34-35-33-29/h4-9,11-18H,2-3,10,19H2,1H3,(H,32,33,34,35)
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PC sid
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Article
n/an/a 47n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.


Bioorg Med Chem Lett 4: 1703-1708 (1994)


Article DOI: 10.1016/S0960-894X(00)80365-0
BindingDB Entry DOI: 10.7270/Q2JS9QB3
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)
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C22H25ClN6O/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/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.


Bioorg Med Chem Lett 4: 1703-1708 (1994)


Article DOI: 10.1016/S0960-894X(00)80365-0
BindingDB Entry DOI: 10.7270/Q2JS9QB3
More data for this
Ligand-Target Pair