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PubMed code 1995891

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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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PubMed
n/an/a 1.20n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011365
PNG
(1-[2-(1-Carboxy-butylamino)-propionyl]-octahydro-i...)
Show SMILES CCCC(N[C@@H](C)C(=O)N1C2CCCCC2CC1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11?,12?,13?,14?/m0/s1
MMDB

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PubMed
n/an/a 1.5n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011362
PNG
(1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...)
Show SMILES C[C@@H](CS)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m0/s1
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PubMed
n/an/a 1.5n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011361
PNG
(1-[2-(1-Carboxy-butylamino)-acetyl]-octahydro-indo...)
Show SMILES CCC[C@H](NCC(=O)N1C2CCCCC2C[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5/c1-2-5-11(15(20)21)17-9-14(19)18-12-7-4-3-6-10(12)8-13(18)16(22)23/h10-13,17H,2-9H2,1H3,(H,20,21)(H,22,23)/t10?,11-,12?,13-/m0/s1
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PubMed
n/an/a 1.90n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011367
PNG
(1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...)
Show SMILES C[C@H](CS)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1
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PubMed
n/an/a 23n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011366
PNG
((S)1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxyl...)
Show SMILES OC(=O)C1CCCN1C(=O)CCS
Show InChI InChI=1S/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)
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PubMed
n/an/a 200n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011364
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-acetyl]-pyrr...)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H22N2O5/c20-15(19-10-4-7-14(19)17(23)24)11-18-13(16(21)22)9-8-12-5-2-1-3-6-12/h1-3,5-6,13-14,18H,4,7-11H2,(H,21,22)(H,23,24)/t13-,14-/m0/s1
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UniChem

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PubMed
n/an/a 230n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011363
PNG
(1-[2-(1-Carboxy-butylamino)-propionyl]-octahydro-i...)
Show SMILES CCCC(N[C@H](C)C(=O)N1C2CCCCC2CC1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11?,12?,13?,14?/m1/s1
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011359
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-p...)
Show SMILES C[C@@H](NC(CCc1ccccc1)C(O)=O)C(=O)N1CCCC1C(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?/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%