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PubMed code 8340909

Compile data set for download or QSAR
Found 14 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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PubMed
n/an/a 0.0800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity against cholecystokinin type A receptor


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 1


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50044231
PNG
(2-Benzyl-N-(4-cyclohexylmethyl-3-hydroxy-13-morpho...)
Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)NC1CSCCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H57N3O8S2/c1-36(2,3)49(44,45)25-28(21-26-11-6-4-7-12-26)33(41)38-31-24-48-20-10-15-29(23-39-16-18-46-19-17-39)47-35(43)32(40)30(37-34(31)42)22-27-13-8-5-9-14-27/h4,6-7,11-12,27-32,40H,5,8-10,13-25H2,1-3H3,(H,37,42)(H,38,41)/t28-,29-,30+,31?,32-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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Article
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367879
PNG
(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity against cholecystokinin type B receptor


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50044226
PNG
(1-hydroxy-1-phenylethyl-phosphinoylamino]-propiony...)
Show SMILES CC(NP(O)(=O)CCc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of metallopeptidase thermolysin


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity against cholecystokinin type B receptor


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50121926
PNG
(1-[2-(1-Carboxy-ethylamino)-propionyl]-pyrrolidine...)
Show SMILES CC(N[C@H](C)C(=O)N1CCC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C11H18N2O5/c1-6(12-7(2)10(15)16)9(14)13-5-3-4-8(13)11(17)18/h6-8,12H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,7?,8+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50019777
PNG
(7-(9-Hydroxy-2-isobutyl-3-oxo-2,3,9,9a-tetrahydro-...)
Show SMILES CC(C)C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity against cholecystokinin type A receptor


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50044234
PNG
(1-[2-(1-Carboxy-ethylamino)-propionyl]-pyrrolidine...)
Show SMILES C[C@@H](NCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C10H16N2O5/c1-6(11-5-8(13)14)9(15)12-4-2-3-7(12)10(16)17/h6-7,11H,2-5H2,1H3,(H,13,14)(H,16,17)/t6-,7+/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50044230
PNG
(1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carbo...)
Show SMILES C[C@@H](CCC(O)=O)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C11H17NO5/c1-7(4-5-9(13)14)10(15)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,8?/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50044232
PNG
(1-(3-Hydroxycarbamoyl-propionyl)-pyrrolidine-2-car...)
Show SMILES ONC(=O)CCC(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C9H14N2O5/c12-7(10-16)3-4-8(13)11-5-1-2-6(11)9(14)15/h6,16H,1-5H2,(H,10,12)(H,14,15)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50044233
PNG
(1-(4-Carboxy-pentanoyl)-pyrrolidine-2-carboxylic a...)
Show SMILES CC(CCC(=O)N1CCCC1C(O)=O)C(O)=O
Show InChI InChI=1S/C11H17NO5/c1-7(10(14)15)4-5-9(13)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 2.60E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%