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PubMed code 1635064

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Angiotensin II AT1B


(RAT)
BDBM50006909
PNG
(2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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PubMed
n/an/a 11n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to Angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
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)
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50006911
PNG
(2-Butyl-5-chloro-3-{4-[2-(2H-tetrazol-5-yl)-cyclop...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)C1=C(CCC1)c1nnn[nH]1
Show InChI InChI=1S/C21H23ClN6O2/c1-2-3-7-17-23-19(22)18(21(29)30)28(17)12-13-8-10-14(11-9-13)15-5-4-6-16(15)20-24-26-27-25-20/h8-11H,2-7,12H2,1H3,(H,29,30)(H,24,25,26,27)
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n/an/a 310n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50006910
PNG
(2-Butyl-5-chloro-3-{4-[2-(2H-tetrazol-5-yl)-cycloh...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)C1=C(CCCCC1)c1nnn[nH]1
Show InChI InChI=1S/C23H27ClN6O2/c1-2-3-9-19-25-21(24)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-7-5-4-6-8-18(17)22-26-28-29-27-22/h10-13H,2-9,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/a 390n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50006908
PNG
(2-Butyl-5-chloro-3-{4-[2-(2H-tetrazol-5-yl)-cycloh...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)C1=C(CCCC1)c1nnn[nH]1
Show InChI InChI=1S/C22H25ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h9-12H,2-8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 400n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50006912
PNG
((2-Butyl-5-chloro-3-{4-[2-(2H-tetrazol-5-yl)-cyclo...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C1=C(CCCCC1)c1nnn[nH]1
Show InChI InChI=1S/C23H29ClN6O/c1-2-3-9-21-25-22(24)20(15-31)30(21)14-16-10-12-17(13-11-16)18-7-5-4-6-8-19(18)23-26-28-29-27-23/h10-13,31H,2-9,14-15H2,1H3,(H,26,27,28,29)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50006914
PNG
((2-Butyl-5-chloro-3-{4-[2-(2H-tetrazol-5-yl)-cyclo...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C1=C(CCCC1)c1nnn[nH]1
Show InChI InChI=1S/C22H27ClN6O/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/h9-12,30H,2-8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50006913
PNG
((2-Butyl-5-chloro-3-{4-[2-(2H-tetrazol-5-yl)-cyclo...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C1=C(CCC1)c1nnn[nH]1
Show InChI InChI=1S/C21H25ClN6O/c1-2-3-7-19-23-20(22)18(13-29)28(19)12-14-8-10-15(11-9-14)16-5-4-6-17(16)21-24-26-27-25-21/h8-11,29H,2-7,12-13H2,1H3,(H,24,25,26,27)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit binding of radioligand [125I]-AII to angiotensin II receptor, type 1 in rat adrenal glomerulosa tis...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%