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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
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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 |r,wU:44.47,28.30,48.58,8.15,59.62,2.2,69.72,wD:4.4,18.26,32.43,76.78,(6.67,-4.52,;6.33,-6.02,;4.86,-6.48,;3.73,-5.43,;4.52,-7.98,;5.65,-9.02,;7.12,-8.57,;7.46,-7.07,;8.26,-9.61,;7.92,-11.11,;6.45,-11.57,;5.21,-10.65,;3.95,-11.54,;4.41,-13.01,;5.95,-13.03,;9.73,-9.16,;10.86,-10.2,;10.52,-11.7,;12.33,-9.74,;12.67,-8.24,;11.54,-7.2,;11.72,-5.67,;10.32,-5.02,;9.27,-6.15,;10.03,-7.5,;13.46,-10.79,;14.93,-10.33,;15.27,-8.83,;16.06,-11.38,;17.53,-10.92,;18.66,-11.96,;18.32,-13.47,;20.13,-11.51,;20.47,-10,;19.34,-8.96,;17.87,-9.42,;16.74,-8.37,;17.08,-6.87,;15.95,-5.82,;18.55,-6.41,;19.68,-7.46,;21.26,-12.55,;22.73,-12.09,;23.07,-10.59,;23.87,-13.14,;25.34,-12.68,;26.47,-13.73,;26.13,-15.23,;27.94,-13.27,;29.07,-14.31,;28.73,-15.82,;27.26,-16.27,;26.92,-17.78,;25.45,-18.23,;24.32,-17.19,;25.11,-19.74,;28.28,-11.77,;29.75,-11.31,;30.88,-12.36,;30.09,-9.81,;31.56,-9.35,;31.9,-7.85,;30.77,-6.8,;33.37,-7.39,;28.96,-8.76,;27.49,-9.22,;23.53,-14.64,;22.06,-15.1,;24.66,-15.69,;15.72,-12.88,;16.85,-13.92,;14.25,-13.34,;13.12,-12.29,;3.05,-8.44,;2.71,-9.94,;1.92,-7.39,;.45,-7.85,;-.68,-6.8,;-2.15,-7.26,;-3.28,-6.22,;-4.75,-6.67,;-5.09,-8.18,;-3.96,-9.22,;-2.49,-8.76,;.11,-9.35,;-1.36,-9.81,;1.24,-10.4,)|
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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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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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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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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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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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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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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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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))		BDBM50229573
PNG
(CHEMBL317360)
Show SMILES CCCCC1=NC(Cl)C(N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)=O |t:4|
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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (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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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)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%