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Compile Data Set for Download or QSAR

Found 766 hits with Last Name = 'connolly' and Initial = 'cj'   
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


(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))
BDBM50006848
PNG
(CHEMBL88091 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C33H53N7O6S2/c1-22(2)17-29(41)30(42)26(18-23-9-5-3-6-10-23)37-31(43)27(20-25-21-47-33(34)36-25)38-32(44)28(19-24-11-7-4-8-12-24)39-48(45,46)40-15-13-35-14-16-40/h4,7-8,11-12,21-23,26-30,35,39,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,36)(H,37,43)(H,38,44)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006850
PNG
(CHEMBL313063 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H51N5O7S2/c1-23(2)17-30(39)31(40)27(18-24-9-5-3-6-10-24)35-32(41)28(20-26-21-46-22-34-26)36-33(42)29(19-25-11-7-4-8-12-25)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-24,27-31,37,39-40H,3,5-6,9-10,13-20H2,1-2H3,(H,35,41)(H,36,42)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006858
PNG
(CHEMBL315380 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N6O7S/c1-23(2)17-30(40)31(41)27(18-24-9-5-3-6-10-24)36-32(42)28(20-26-21-34-22-35-26)37-33(43)29(19-25-11-7-4-8-12-25)38-47(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-24,27-31,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,34,35)(H,36,42)(H,37,43)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006854
PNG
(CHEMBL88069 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...)
Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H50N6O7S2/c1-2-25(39)20-29(40)26(17-22-9-5-3-6-10-22)35-30(41)27(19-24-21-46-32(33)34-24)36-31(42)28(18-23-11-7-4-8-12-23)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-22,25-29,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H2,33,34)(H,35,41)(H,36,42)/t25-,26-,27-,28-,29-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006853
PNG
(CHEMBL315211 | N-(1-Cyclohexylmethyl-2,3-dihydroxy...)
Show SMILES COC(=O)[C@H](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



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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))
BDBM50006845
PNG
(CHEMBL316208 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](Cc2csc(N)n2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C34H54N6O8S2/c1-22(2)17-30(41)31(42)27(18-23-7-5-4-6-8-23)37-32(43)28(20-25-21-49-34(35)36-25)38-33(44)29(19-24-9-11-26(47-3)12-10-24)39-50(45,46)40-13-15-48-16-14-40/h9-12,21-23,27-31,39,41-42H,4-8,13-20H2,1-3H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of plasma renin activity in monkey


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006851
PNG
(CHEMBL263531 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H54N4O7S/c1-26(2)22-33(41)34(42)30(23-27-12-6-3-7-13-27)37-35(43)31(24-28-14-8-4-9-15-28)38-36(44)32(25-29-16-10-5-11-17-29)39-48(45,46)40-18-20-47-21-19-40/h4-5,8-11,14-17,26-27,30-34,39,41-42H,3,6-7,12-13,18-25H2,1-2H3,(H,37,43)(H,38,44)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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
Renin


(Homo sapiens (Human))
BDBM50006856
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H52F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-30,44H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006846
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES CCOC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H44F2N6O8S2/c1-2-48-30(44)32(33,34)27(41)24(17-21-9-5-3-6-10-21)37-28(42)25(19-23-20-49-31(35)36-23)38-29(43)26(18-22-11-7-4-8-12-22)39-50(45,46)40-13-15-47-16-14-40/h4,7-8,11-12,20-21,24-26,39H,2-3,5-6,9-10,13-19H2,1H3,(H2,35,36)(H,37,42)(H,38,43)/t24-,25-,26-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of plasma renin activity in human


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006843
PNG
(CHEMBL314066 | N-[(2-Amino-thiazol-4-yl)-(1-cycloh...)
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)c1csc(N)n1
Show InChI InChI=1S/C32H50N6O7S2/c1-21(2)17-27(39)29(40)24(18-22-9-5-3-6-10-22)34-31(42)28(26-20-46-32(33)35-26)36-30(41)25(19-23-11-7-4-8-12-23)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,20-22,24-25,27-29,37,39-40H,3,5-6,9-10,13-19H2,1-2H3,(H2,33,35)(H,34,42)(H,36,41)/t24-,25-,27-,28?,29+/m0/s1
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n/an/a 0.581n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006849
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H54F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-31,44,47H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-,31+/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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 0.760n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50006860
PNG
(CHEMBL85672 | {1-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NP(=O)(OC(C)C)OC(C)C
Show InChI InChI=1S/C35H58N5O7PS/c1-22(2)17-31(41)32(42)28(18-25-13-9-7-10-14-25)38-33(43)29(20-27-21-49-35(36)37-27)39-34(44)30(19-26-15-11-8-12-16-26)40-48(45,46-23(3)4)47-24(5)6/h8,11-12,15-16,21-25,28-32,41-42H,7,9-10,13-14,17-20H2,1-6H3,(H2,36,37)(H,38,43)(H,39,44)(H,40,45)/t28-,29-,30-,31-,32+/m0/s1
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n/an/a 0.910n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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


(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
Renin


(Homo sapiens (Human))
BDBM50009879
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CC#CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H56N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 2n/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
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of plasma renin activity in monkey


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009911
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@H](O)C(F)(F)C(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H62F2N8O8S2/c1-42-37(57)43-17-9-8-14-30(44-35(51)32(25-28-12-6-3-7-13-28)46-58(53,54)48-19-21-55-22-20-48)34(50)45-31(24-27-10-4-2-5-11-27)33(49)38(39,40)36(52)47-18-23-56-29(26-47)15-16-41/h3,6-7,12-13,27,29-33,46,49H,2,4-5,8-11,14-26,41H2,1H3,(H,44,51)(H,45,50)(H2,42,43,57)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 2.30n/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
Renin


(Homo sapiens (Human))
BDBM50006864
PNG
(CHEMBL420417 | {1-[2-(2-Amino-thiazol-4-yl)-1-(1-c...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O6S/c1-21(2)16-28(40)29(41)25(17-22-12-8-6-9-13-22)37-31(43)27(19-24-20-46-32(35)36-24)38-30(42)26(18-23-14-10-7-11-15-23)39-33(44)45-34(3,4)5/h7,10-11,14-15,20-22,25-29,40-41H,6,8-9,12-13,16-19H2,1-5H3,(H2,35,36)(H,37,43)(H,38,42)(H,39,44)/t25-,26-,27-,28-,29+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006859
PNG
(2-((R)-(S)-Morpholine-4-sulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H52N6O7S2/c1-22(2)16-30(41)31(42)27(17-23-8-4-3-5-9-23)37-32(43)28(19-26-21-48-34(35)36-26)38-33(44)29-18-24-10-6-7-11-25(24)20-40(29)49(45,46)39-12-14-47-15-13-39/h6-7,10-11,21-23,27-31,41-42H,3-5,8-9,12-20H2,1-2H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009918
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H64N8O8S2/c1-40-38(55)41-17-9-8-14-31(42-37(50)33(25-29-12-6-3-7-13-29)44-56(51,52)46-19-21-53-22-20-46)36(49)43-32(24-28-10-4-2-5-11-28)34(47)26-35(48)45-18-23-54-30(27-45)15-16-39/h3,6-7,12-13,28,30-34,44,47H,2,4-5,8-11,14-27,39H2,1H3,(H,42,50)(H,43,49)(H2,40,41,55)/t30?,31?,32?,33?,34-/m0/s1
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n/an/a 3.20n/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
Renin


(Homo sapiens (Human))
BDBM50009900
PNG
(CHEMBL23944 | {5-{4-[2-(2-Amino-ethyl)-morpholin-4...)
Show SMILES CC(C)CC(NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)C(F)(F)C(=O)N1CCOC(CCN)C1
Show InChI InChI=1/C41H59F2N7O10S/c1-29(2)25-34(36(51)41(42,43)39(54)49-19-24-59-32(27-49)16-17-44)47-37(52)33(15-9-10-18-45-40(55)60-28-31-13-7-4-8-14-31)46-38(53)35(26-30-11-5-3-6-12-30)48-61(56,57)50-20-22-58-23-21-50/h3-8,11-14,29,32-35,48H,9-10,15-28,44H2,1-2H3,(H,45,55)(H,46,53)(H,47,52)
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n/an/a 3.30n/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
Renin


(Homo sapiens (Human))
BDBM50009885
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)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/C38H60N8O8S2/c1-40-38(55)41-17-9-8-14-31(42-37(50)33(25-29-12-6-3-7-13-29)44-56(51,52)46-19-21-53-22-20-46)36(49)43-32(24-28-10-4-2-5-11-28)34(47)26-35(48)45-18-23-54-30(27-45)15-16-39/h3,6-7,12-13,28,30-34,44,47H,2,4-5,10-11,14-27,39H2,1H3,(H,42,50)(H,43,49)(H2,40,41,55)/t30?,31?,32?,33?,34-/m0/s1
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n/an/a 3.30n/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
Renin


(Homo sapiens (Human))
BDBM50006861
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CC(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H56N8O8S2/c37-36-39-28(25-53-36)23-30(41-35(48)31(22-27-9-5-2-6-10-27)42-54(49,50)44-15-19-52-20-16-44)34(47)40-29(21-26-7-3-1-4-8-26)32(45)24-33(46)38-11-12-43-13-17-51-18-14-43/h2,5-6,9-10,25-26,29-32,42,45H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,46)(H,40,47)(H,41,48)/t29-,30-,31-,32-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006857
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CC(=O)NCCN(CCO)CCO)cs1
Show InChI InChI=1S/C36H58N8O9S2/c37-36-39-28(25-54-36)23-30(41-35(50)31(22-27-9-5-2-6-10-27)42-55(51,52)44-15-19-53-20-16-44)34(49)40-29(21-26-7-3-1-4-8-26)32(47)24-33(48)38-11-12-43(13-17-45)14-18-46/h2,5-6,9-10,25-26,29-32,42,45-47H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,48)(H,40,49)(H,41,50)/t29-,30-,31-,32-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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 4n/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))
BDBM50006852
PNG
(4-(2-Amino-thiazol-4-yl)-N-(1-cyclohexylmethyl-2,3...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H54N6O7S2/c1-23(2)19-30(41)31(42)28(20-24-9-5-3-6-10-24)38-32(43)27(14-13-26-22-48-34(35)36-26)37-33(44)29(21-25-11-7-4-8-12-25)39-49(45,46)40-15-17-47-18-16-40/h4,7-8,11-12,22-24,27-31,39,41-42H,3,5-6,9-10,13-21H2,1-2H3,(H2,35,36)(H,37,44)(H,38,43)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009879
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CC#CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H56N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 4.60n/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
Renin


(Homo sapiens (Human))
BDBM50009884
PNG
(CHEMBL279921 | N-[1-{4-[2-(2-Amino-ethyl)-morpholi...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c37-12-11-29-24-43(13-18-52-29)34(46)22-33(45)30(19-26-7-3-1-4-8-26)40-35(47)31(21-28-23-38-25-39-28)41-36(48)32(20-27-9-5-2-6-10-27)42-53(49,50)44-14-16-51-17-15-44/h2,5-6,9-10,23,25-26,29-33,42,45H,1,3-4,7-8,11-22,24,37H2,(H,38,39)(H,40,47)(H,41,48)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 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


(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 5.10n/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))
BDBM50009884
PNG
(CHEMBL279921 | N-[1-{4-[2-(2-Amino-ethyl)-morpholi...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c37-12-11-29-24-43(13-18-52-29)34(46)22-33(45)30(19-26-7-3-1-4-8-26)40-35(47)31(21-28-23-38-25-39-28)41-36(48)32(20-27-9-5-2-6-10-27)42-53(49,50)44-14-16-51-17-15-44/h2,5-6,9-10,23,25-26,29-33,42,45H,1,3-4,7-8,11-22,24,37H2,(H,38,39)(H,40,47)(H,41,48)/t29?,30?,31?,32?,33-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human 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
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50224920
PNG
(3-methoxy-5-(2-methyl-1,6-naphthyridin-7-yl)benzon...)
Show SMILES COc1cc(cc(c1)-c1cc2nc(C)ccc2cn1)C#N
Show InChI InChI=1S/C17H13N3O/c1-11-3-4-13-10-19-16(8-17(13)20-11)14-5-12(9-18)6-15(7-14)21-2/h3-8,10H,1-2H3
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n/an/a 6.19n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization


Bioorg Med Chem Lett 17: 6525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.083
BindingDB Entry DOI: 10.7270/Q2V40TXS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009872
PNG
(4-[6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H60N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-10,13-22,30-31,37,40-42,51H,6,11-12,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/t31?,40?,41?,42-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3451
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
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n/an/a 7.40n/an/an/an/an/an/a



Pfizer Inc



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3453
PNG
(3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)Nc3ccccc3)nc2n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H31Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h5-7,10-14,17-18H,3-4,8-9,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38)
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n/an/a 7.5n/an/an/an/an/an/a



Pfizer Inc



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009915
PNG
(6-Formylamino-2-(3-naphthalen-1-yl-2-naphthalen-1-...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(CC#CCNC=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C48H59N5O6/c49-24-23-40-32-53(26-27-59-40)46(56)31-45(55)44(28-34-12-2-1-3-13-34)52-48(58)43(22-8-9-25-50-33-54)51-47(57)39(29-37-18-10-16-35-14-4-6-20-41(35)37)30-38-19-11-17-36-15-5-7-21-42(36)38/h4-7,10-11,14-21,33-34,39-40,43-45,55H,1-3,12-13,22-32,49H2,(H,50,54)(H,51,57)(H,52,58)/t40?,43?,44?,45-/m0/s1
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n/an/a 8.70n/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
Renin


(Homo sapiens (Human))
BDBM50009916
PNG
(6-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen-1-...)
Show SMILES CC(=O)NCC#CCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C49H61N5O6/c1-34(55)51-26-10-9-23-44(49(59)53-45(29-35-13-3-2-4-14-35)46(56)32-47(57)54-27-28-60-41(33-54)24-25-50)52-48(58)40(30-38-19-11-17-36-15-5-7-21-42(36)38)31-39-20-12-18-37-16-6-8-22-43(37)39/h5-8,11-12,15-22,35,40-41,44-46,56H,2-4,13-14,23-33,50H2,1H3,(H,51,55)(H,52,58)(H,53,59)/t41?,44?,45?,46-/m0/s1
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n/an/a 9n/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
Renin


(Homo sapiens (Human))
BDBM50009892
PNG
(4-[4-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C43H56N4O5/c1-6-29(4)27-45-41(50)26-40(49)39(23-28(2)3)47-43(52)38(21-22-44-30(5)48)46-42(51)35(24-33-17-11-15-31-13-7-9-19-36(31)33)25-34-18-12-16-32-14-8-10-20-37(32)34/h7-20,28-29,35,38-40,49H,6,21-27H2,1-5H3,(H,44,48)(H,45,50)(H,46,51)(H,47,52)/t29?,38?,39?,40-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3467
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(4-me...)
Show SMILES CN1CCN(CCCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1
Show InChI InChI=1S/C27H36Cl2N8O/c1-27(2,3)35-26(38)34-24-19(22-20(28)8-7-9-21(22)29)16-18-17-31-25(33-23(18)32-24)30-10-5-6-11-37-14-12-36(4)13-15-37/h7-9,16-17H,5-6,10-15H2,1-4H3,(H3,30,31,32,33,34,35,38)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009904
PNG
(CHEMBL23501 | {5-{4-[2-(2-Amino-ethyl)-morpholin-4...)
Show SMILES CC(C)(C)OC(=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/C41H65N7O10S/c1-41(2,3)58-40(53)43-19-11-10-16-33(44-39(52)35(27-31-14-8-5-9-15-31)46-59(54,55)48-21-23-56-24-22-48)38(51)45-34(26-30-12-6-4-7-13-30)36(49)28-37(50)47-20-25-57-32(29-47)17-18-42/h5,8-9,14-15,30,32-36,46,49H,4,6-7,12-13,16-29,42H2,1-3H3,(H,43,53)(H,44,52)(H,45,51)/t32?,33?,34?,35?,36-/m0/s1
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n/an/a 11n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3452
PNG
(1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC3CCCCC3)nc2n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H37Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h10,13-14,17-18,20H,3-9,11-12,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009894
PNG
(6-(N'-nitro-guanidino)-2-(3-naphthalen-1-yl-2-naph...)
Show SMILES NCCC1CN(CCO1)C(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(CC#CCNC(=N)N[N+]([O-])=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C48H60N8O7/c49-24-23-39-32-55(26-27-63-39)45(58)31-44(57)43(28-33-12-2-1-3-13-33)53-47(60)42(22-8-9-25-51-48(50)54-56(61)62)52-46(59)38(29-36-18-10-16-34-14-4-6-20-40(34)36)30-37-19-11-17-35-15-5-7-21-41(35)37/h4-7,10-11,14-21,33,38-39,42-44,57H,1-3,12-13,22-32,49H2,(H,52,59)(H,53,60)(H3,50,51,54)/t39?,42?,43?,44-/m0/s1
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n/an/a 12n/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
Renin


(Homo sapiens (Human))
BDBM50009905
PNG
(3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C45H61N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-10,13-22,30-31,36,39-41,51H,6,11-12,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/t31?,39?,40?,41-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human 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
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