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4 similar compounds to monomer 50020400

Compile data set for download or QSAR
Wt: 481.5
BDBM50020391
Wt: 363.3
BDBM50020397
Wt: 377.3
BDBM50020382
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Wt: 419.4
BDBM50020387

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50020391,50020397,50020382,50020387   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020382
PNG
(3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O
Show InChI InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


Article DOI: 10.1021/jm00122a003
BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020397
PNG
(3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-2...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CNC1=O)C(O)=O
Show InChI InChI=1S/C17H21N3O6/c1-10(14(21)20-13(16(24)25)9-18-17(20)26)19-12(15(22)23)8-7-11-5-3-2-4-6-11/h2-6,10,12-13,19H,7-9H2,1H3,(H,18,26)(H,22,23)(H,24,25)/t10-,12-,13-/m0/s1
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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


Article DOI: 10.1021/jm00122a003
BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020391
PNG
(1-Benzyl-3-[2-(1-ethoxycarbonyl-3-phenyl-propylami...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H](CN(Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C26H31N3O6/c1-3-35-25(33)21(15-14-19-10-6-4-7-11-19)27-18(2)23(30)29-22(24(31)32)17-28(26(29)34)16-20-12-8-5-9-13-20/h4-13,18,21-22,27H,3,14-17H2,1-2H3,(H,31,32)/t18-,21-,22-/m0/s1
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Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


Article DOI: 10.1021/jm00122a003
BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020387
PNG
(1-Butyl-3-[2-(1-carboxy-3-phenyl-propylamino)-prop...)
Show SMILES CCCCN1C[C@H](N(C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C21H29N3O6/c1-3-4-12-23-13-17(20(28)29)24(21(23)30)18(25)14(2)22-16(19(26)27)11-10-15-8-6-5-7-9-15/h5-9,14,16-17,22H,3-4,10-13H2,1-2H3,(H,26,27)(H,28,29)/t14-,16-,17-/m0/s1
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Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


Article DOI: 10.1021/jm00122a003
BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair