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Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'hodges' and Initial = 'jc'   
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
AGTR1


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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0.700n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/s2
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1.60n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/s2
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1.70n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50011977
PNG
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
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3.30n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
AGTR1


(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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12.1n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Caspase


(Homo sapiens (Human))
BDBM50071542
PNG
((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-5-[2-(...)
Show SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H24Cl2N2O7/c1-10(2)19(23-11(3)25)20(30)24-15(8-17(27)28)16(26)9-31-18(29)7-12-13(21)5-4-6-14(12)22/h4-6,10,15,19H,7-9H2,1-3H3,(H,23,25)(H,24,30)(H,27,28)/t15-,19?/m0/s1
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82n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)


Bioorg Med Chem Lett 8: 2309-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00418-1
BindingDB Entry DOI: 10.7270/Q2F47N9K
More data for this
Ligand-Target Pair
Caspase


(Homo sapiens (Human))
BDBM50071543
PNG
((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...)
Show SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl
Show InChI InChI=1S/C20H23Cl3N2O7/c1-9(2)19(24-10(3)26)20(31)25-14(7-16(28)29)15(27)8-32-17(30)6-11-12(21)4-5-13(22)18(11)23/h4-5,9,14,19H,6-8H2,1-3H3,(H,24,26)(H,25,31)(H,28,29)/t14-,19?/m0/s1
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113n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)


Bioorg Med Chem Lett 8: 2309-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00418-1
BindingDB Entry DOI: 10.7270/Q2F47N9K
More data for this
Ligand-Target Pair
Caspase


(Homo sapiens (Human))
BDBM50071541
PNG
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(3-phenylpr...)
Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H23NO7/c24-19(15-29-21(27)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-22(28)30-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,28)(H,25,26)/t18-/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against N-His (D381E) Interleukin -1 beta converting enzyme


Bioorg Med Chem Lett 8: 2309-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00418-1
BindingDB Entry DOI: 10.7270/Q2F47N9K
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50011977
PNG
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Angiotensin II AT2


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50044576
PNG
(2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-n1cccc1C(=O)C(F)(F)F
Show InChI InChI=1S/C27H22F3N7O3/c1-2-6-21-31-25(36-14-5-9-20(36)23(38)27(28,29)30)22(26(39)40)37(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)24-32-34-35-33-24/h3-5,7-14H,2,6,15H2,1H3,(H,39,40)(H,32,33,34,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)


Article DOI: 10.1016/j.bioorg.2015.01.005
BindingDB Entry DOI: 10.7270/Q2J38R2N
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=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)CNC)C(C)C)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for rat brain Angiotensin II receptor


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
BindingDB Entry DOI: 10.7270/Q24X5B06
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005417
PNG
(CHEMBL266334 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31?/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against renin monkey plasma


J Med Chem 36: 3809-20 (1994)


Article DOI: 10.1021/jm00076a008
BindingDB Entry DOI: 10.7270/Q24T6HFF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012246
PNG
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012250
PNG
(CHEMBL58947 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C32H52N4O9S/c1-22(2)18-28(37)30(39)25(19-23-10-6-4-7-11-23)33-31(40)26(21-29(38)44-3)34-32(41)27(20-24-12-8-5-9-13-24)35-46(42,43)36-14-16-45-17-15-36/h5,8-9,12-13,22-23,25-28,30,35,37,39H,4,6-7,10-11,14-21H2,1-3H3,(H,33,40)(H,34,41)/t25-,26?,27-,28+,30+/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012246
PNG
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282993
PNG
((2S,4R)-4-Cyclohexyl-2-hydroxy-3-((R)-3-methylsulf...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012251
PNG
(2-{2-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C36H55N7O10S/c1-23(2)17-30(44)32(45)27(18-24-9-5-3-6-10-24)39-34(47)31(35(48)40-29(36(49)50)20-26-21-37-22-38-26)41-33(46)28(19-25-11-7-4-8-12-25)42-54(51,52)43-13-15-53-16-14-43/h4,7-8,11-12,21-24,27-32,42,44-45H,3,5-6,9-10,13-20H2,1-2H3,(H,37,38)(H,39,47)(H,40,48)(H,41,46)(H,49,50)/t27-,28-,29?,30+,31?,32+/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50042819
PNG
(CHEMBL339340 | N-(1-Cyclohexylmethyl-2,3-dihydroxy...)
Show SMILES COC(=O)C(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C
Show InChI InChI=1/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)
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n/an/a 0.280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against renin monkey plasma


J Med Chem 36: 3809-20 (1994)


Article DOI: 10.1021/jm00076a008
BindingDB Entry DOI: 10.7270/Q24T6HFF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012246
PNG
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against human renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=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)CNC)C(C)C)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
BindingDB Entry DOI: 10.7270/Q24X5B06
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50042815
PNG
(CHEMBL332228 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES CC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)
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n/an/a 0.400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against renin monkey plasma


J Med Chem 36: 3809-20 (1994)


Article DOI: 10.1021/jm00076a008
BindingDB Entry DOI: 10.7270/Q24T6HFF
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230906
PNG
(CHEMBL308261)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl
Show InChI InChI=1S/C25H21Cl2N7O2/c1-2-5-21-28-24(34-19(26)12-13-20(34)27)22(25(35)36)33(21)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)23-29-31-32-30-23/h3-4,6-13H,2,5,14H2,1H3,(H,35,36)(H,29,30,31,32)
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n/an/a 0.410n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009873
PNG
(6-Acetylamino-2-[2-(morpholine-4-sulfonylamino)-3-...)
Show SMILES CC(=O)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H59N7O9S/c1-28(46)40-17-9-8-14-32(41-38(50)34(25-30-12-6-3-7-13-30)43-55(51,52)45-19-21-53-22-20-45)37(49)42-33(24-29-10-4-2-5-11-29)35(47)26-36(48)44-18-23-54-31(27-44)15-16-39/h3,6-7,12-13,29,31-35,43,47H,2,4-5,10-11,14-27,39H2,1H3,(H,40,46)(H,41,50)(H,42,49)/t31?,32?,33?,34?,35-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50282401
PNG
(CHEMBL157510 | PD-126055 | Potassium; (S)-5-benzyl...)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C([O-])=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/p-1/t27-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uterine membranes.


Bioorg Med Chem Lett 4: 57-62 (1994)


Article DOI: 10.1016/S0960-894X(01)81122-7
BindingDB Entry DOI: 10.7270/Q2SJ1KJV
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230919
PNG
(CHEMBL307844 | CI-996)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
Show InChI InChI=1S/C27H22F3N7O3/c1-2-6-21-31-25(36-14-5-9-20(36)23(38)27(28,29)30)22(26(39)40)37(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)24-32-34-35-33-24/h3-5,7-14H,2,6,15H2,1H3,(H,39,40)(H,32,33,34,35)
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n/an/a 0.580n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012249
PNG
(CHEMBL58256 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)OC(C)C
Show InChI InChI=1S/C33H54N4O9S/c1-22(2)19-28(38)30(39)26(20-24-11-7-5-8-12-24)34-32(41)29(33(42)46-23(3)4)35-31(40)27(21-25-13-9-6-10-14-25)36-47(43,44)37-15-17-45-18-16-37/h6,9-10,13-14,22-24,26-30,36,38-39H,5,7-8,11-12,15-21H2,1-4H3,(H,34,41)(H,35,40)/t26-,27-,28+,29?,30+/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012257
PNG
(CHEMBL299252 | N-[1-Cyclohexylmethyl-3,3-difluoro-...)
Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H50F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-28,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28?/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230891
PNG
(CHEMBL76166)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C=O
Show InChI InChI=1S/C26H23N7O3/c1-2-6-22-27-25(32-14-5-7-19(32)16-34)23(26(35)36)33(22)15-17-10-12-18(13-11-17)20-8-3-4-9-21(20)24-28-30-31-29-24/h3-5,7-14,16H,2,6,15H2,1H3,(H,35,36)(H,28,29,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230883
PNG
(CHEMBL309089)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C
Show InChI InChI=1S/C27H27N7O2/c1-4-7-23-28-26(34-17(2)10-11-18(34)3)24(27(35)36)33(23)16-19-12-14-20(15-13-19)21-8-5-6-9-22(21)25-29-31-32-30-25/h5-6,8-15H,4,7,16H2,1-3H3,(H,35,36)(H,29,30,31,32)
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n/an/a 0.820n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17941
PNG
((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/s2
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n/an/a 0.830n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049182
PNG
((S)-5-Benzyloxy-2-diphenylacetyl-6-methoxy-1,2,3,4...)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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n/an/a 0.840n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uterine membranes.


Bioorg Med Chem Lett 4: 57-62 (1994)


Article DOI: 10.1016/S0960-894X(01)81122-7
BindingDB Entry DOI: 10.7270/Q2SJ1KJV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50280907
PNG
((S)-1,4-Bis-diphenylcarbamoyl-piperazine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CN(CCN1C(=O)N(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H28N4O4/c36-29(37)28-23-32(30(38)34(24-13-5-1-6-14-24)25-15-7-2-8-16-25)21-22-33(28)31(39)35(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H,36,37)/t28-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uterine membranes.


Bioorg Med Chem Lett 4: 57-62 (1994)


Article DOI: 10.1016/S0960-894X(01)81122-7
BindingDB Entry DOI: 10.7270/Q2SJ1KJV
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230915
PNG
(CHEMBL76169)
Show SMILES CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O
Show InChI InChI=1S/C29H31N7O2/c1-4-8-22-17-12-19(3)36(22)28-26(29(37)38)35(25(30-28)9-5-2)18-20-13-15-21(16-14-20)23-10-6-7-11-24(23)27-31-33-34-32-27/h6-7,10-17H,4-5,8-9,18H2,1-3H3,(H,37,38)(H,31,32,33,34)
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n/an/a 0.900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012252
PNG
(CHEMBL57492 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)OCC=C
Show InChI InChI=1S/C33H52N4O9S/c1-4-17-46-33(42)29(32(41)34-26(21-24-11-7-5-8-12-24)30(39)28(38)20-23(2)3)35-31(40)27(22-25-13-9-6-10-14-25)36-47(43,44)37-15-18-45-19-16-37/h4,6,9-10,13-14,23-24,26-30,36,38-39H,1,5,7-8,11-12,15-22H2,2-3H3,(H,34,41)(H,35,40)/t26-,27-,28+,29?,30+/m0/s1
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n/an/a 0.950n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230887
PNG
(CHEMBL306259)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F
Show InChI InChI=1/C27H24F3N7O3/c1-2-6-21-31-25(36-14-5-9-20(36)23(38)27(28,29)30)22(26(39)40)37(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)24-32-34-35-33-24/h3-5,7-14,23,38H,2,6,15H2,1H3,(H,39,40)(H,32,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50282404
PNG
(5-Benzyloxy-2-(2-cyclopentyl-2-phenyl-acetyl)-6-me...)
Show SMILES COc1ccc2CN(C(Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(C1CCCC1)c1ccccc1
Show InChI InChI=1/C31H33NO5/c1-36-27-17-16-24-19-32(30(33)28(23-14-8-9-15-23)22-12-6-3-7-13-22)26(31(34)35)18-25(24)29(27)37-20-21-10-4-2-5-11-21/h2-7,10-13,16-17,23,26,28H,8-9,14-15,18-20H2,1H3,(H,34,35)
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uterine membranes.


Bioorg Med Chem Lett 4: 57-62 (1994)


Article DOI: 10.1016/S0960-894X(01)81122-7
BindingDB Entry DOI: 10.7270/Q2SJ1KJV
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230912
PNG
(CHEMBL72922)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
Show InChI InChI=1S/C25H23N7O2/c1-2-7-21-26-24(31-14-5-6-15-31)22(25(33)34)32(21)16-17-10-12-18(13-11-17)19-8-3-4-9-20(19)23-27-29-30-28-23/h3-6,8-15H,2,7,16H2,1H3,(H,33,34)(H,27,28,29,30)
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n/an/a 1.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50228195
PNG
(ANGIOTENSIN II | Angiotensin Ii | CHEBI:2719)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/s2
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n/an/a 1.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
BindingDB Entry DOI: 10.7270/Q24X5B06
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230886
PNG
(CHEMBL307455)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C
Show InChI InChI=1S/C28H27N7O4/c1-4-7-23-29-26(34-15-14-20(17(34)2)28(38)39-3)24(27(36)37)35(23)16-18-10-12-19(13-11-18)21-8-5-6-9-22(21)25-30-32-33-31-25/h5-6,8-15H,4,7,16H2,1-3H3,(H,36,37)(H,30,31,32,33)
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n/an/a 1.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012247
PNG
(4-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl...)
Show SMILES COC(=O)CCC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C33H54N4O9S/c1-23(2)20-29(38)31(40)27(21-24-10-6-4-7-11-24)35-32(41)26(14-15-30(39)45-3)34-33(42)28(22-25-12-8-5-9-13-25)36-47(43,44)37-16-18-46-19-17-37/h5,8-9,12-13,23-24,26-29,31,36,38,40H,4,6-7,10-11,14-22H2,1-3H3,(H,34,42)(H,35,41)/t26?,27-,28-,29+,31+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50228894
PNG
(CHEMBL312754)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25-,29-,30-,31-,32-,34-,35-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
BindingDB Entry DOI: 10.7270/Q24X5B06
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230882
PNG
(CARBOXYLIC ACID METABOLITE | CHEBI:74125 | E-3174)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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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n/an/a 1.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for inhibitory concentration against AT1 receptor binding affinity in rat liver


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230910
PNG
(CHEMBL306066)
Show SMILES CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
Show InChI InChI=1S/C26H25N7O2/c1-2-3-10-22-27-25(32-15-6-7-16-32)23(26(34)35)33(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)24-28-30-31-29-24/h4-9,11-16H,2-3,10,17H2,1H3,(H,34,35)(H,28,29,30,31)
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n/an/a 1.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50230882
PNG
(CARBOXYLIC ACID METABOLITE | CHEBI:74125 | E-3174)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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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n/an/a 1.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50042818
PNG
(CHEMBL341531 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES CCC(CO)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1/C33H52N6O7S2/c1-2-23(21-40)19-30(41)27(17-24-9-5-3-6-10-24)36-31(42)28(20-26-22-47-33(34)35-26)37-32(43)29(18-25-11-7-4-8-12-25)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,22-24,27-30,38,40-41H,2-3,5-6,9-10,13-21H2,1H3,(H2,34,35)(H,36,42)(H,37,43)
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n/an/a 1.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against renin monkey plasma


J Med Chem 36: 3809-20 (1994)


Article DOI: 10.1021/jm00076a008
BindingDB Entry DOI: 10.7270/Q24T6HFF
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230882
PNG
(CARBOXYLIC ACID METABOLITE | CHEBI:74125 | E-3174)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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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n/an/a 1.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50282408
PNG
(2-Diphenylacetyl-6-methoxy-5-(4-methoxy-3-methyl-b...)
Show SMILES COc1ccc(COc2c(OC)ccc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
Show InChI InChI=1/C34H33NO6/c1-22-18-23(14-16-29(22)39-2)21-41-32-27-19-28(34(37)38)35(20-26(27)15-17-30(32)40-3)33(36)31(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-18,28,31H,19-21H2,1-3H3,(H,37,38)
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uterine membranes.


Bioorg Med Chem Lett 4: 57-62 (1994)


Article DOI: 10.1016/S0960-894X(01)81122-7
BindingDB Entry DOI: 10.7270/Q2SJ1KJV
More data for this
Ligand-Target Pair
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