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PubMed code 1895308

Compile data set for download or QSAR
Found 9 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 receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229575
PNG
(CHEMBL2369937)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C59H86N16O12/c1-9-33(5)49(57(86)69-42(35(7)76)23-36-15-12-11-13-16-36)75-55(84)46(26-39-29-64-31-67-39)70-53(82)45(25-38-28-63-30-66-38)72-58(87)50(34(6)10-2)74-54(83)44(24-37-18-20-40(77)21-19-37)71-56(85)48(32(3)4)73-51(80)41(17-14-22-65-59(60)61)68-52(81)43(62-8)27-47(78)79/h11-13,15-16,18-21,28-34,41-46,48-50,62,77H,9-10,14,17,22-27H2,1-8H3,(H,63,66)(H,64,67)(H,68,81)(H,69,86)(H,70,82)(H,71,85)(H,72,87)(H,73,80)(H,74,83)(H,75,84)(H,78,79)(H4,60,61,65)/t33-,34-,41-,42-,43-,44-,45-,46-,48-,49-,50-/m0/s1
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229912
PNG
(CHEMBL315104)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H25N7/c1-4-7-22-27-23-16(2)14-17(3)26-25(23)32(22)15-18-10-12-19(13-11-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,28,29,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
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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PubMed
n/an/a 0.300n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229914
PNG
(CHEMBL98907)
Show SMILES CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H27N7/c1-4-5-10-23-28-24-17(2)15-18(3)27-26(24)33(23)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)25-29-31-32-30-25/h6-9,11-15H,4-5,10,16H2,1-3H3,(H,29,30,31,32)
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PubMed
n/an/a 0.5n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50009719
PNG
(7-Methyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
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PubMed
n/an/a 1n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229574
PNG
(CHEMBL99991)
Show SMILES CCCc1nc2ccc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H23N7/c1-3-6-22-26-21-14-9-16(2)25-24(21)31(22)15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229573
PNG
(CHEMBL317360)
Show SMILES CCCCC1=NC(Cl)C(N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)=O
Show InChI InChI=1S/C22H23ClN6O2/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/h4-7,9-12,19-20H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229913
PNG
(CHEMBL99751)
Show SMILES CCCc1nc2cccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C23H21N7/c1-2-6-21-25-20-9-5-14-24-23(20)30(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)22-26-28-29-27-22/h3-5,7-14H,2,6,15H2,1H3,(H,26,27,28,29)
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n/an/a 8n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
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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PubMed
n/an/a 50n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%