Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50035548 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50021127
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50021127
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50021127
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50021129
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-p...)Show SMILES C[C@H](NC(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 | PDB
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PC cid
PC sid
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Similars
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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50021127
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50421710
(CHEMBL2093973)Show SMILES OC(=O)CN1c2ccccc2CCC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C23H26N2O5/c26-21(27)15-25-20-12-5-4-9-17(20)10-6-11-18(22(25)28)24-19(23(29)30)14-13-16-7-2-1-3-8-16/h1-5,7-9,12,18-19,24H,6,10-11,13-15H2,(H,26,27)(H,29,30)/t18-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50421710
(CHEMBL2093973)Show SMILES OC(=O)CN1c2ccccc2CCC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C23H26N2O5/c26-21(27)15-25-20-12-5-4-9-17(20)10-6-11-18(22(25)28)24-19(23(29)30)14-13-16-7-2-1-3-8-16/h1-5,7-9,12,18-19,24H,6,10-11,13-15H2,(H,26,27)(H,29,30)/t18-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50421713
(CHEMBL2094046)Show SMILES OC(=O)CN1c2ccccc2CCC[C@@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C23H26N2O5/c26-21(27)15-25-20-12-5-4-9-17(20)10-6-11-18(22(25)28)24-19(23(29)30)14-13-16-7-2-1-3-8-16/h1-5,7-9,12,18-19,24H,6,10-11,13-15H2,(H,26,27)(H,29,30)/t18-,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50421712
(CHEMBL558003)Show SMILES Cl.OC(=O)CN1C(=O)[C@H](Cc2ccccc12)N[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H22N2O5.ClH/c24-19(25)13-23-18-9-5-4-8-15(18)12-17(20(23)26)22-16(21(27)28)11-10-14-6-2-1-3-7-14;/h1-9,16-17,22H,10-13H2,(H,24,25)(H,27,28);1H/t16-,17-;/m0./s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50421712
(CHEMBL558003)Show SMILES Cl.OC(=O)CN1C(=O)[C@H](Cc2ccccc12)N[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H22N2O5.ClH/c24-19(25)13-23-18-9-5-4-8-15(18)12-17(20(23)26)22-16(21(27)28)11-10-14-6-2-1-3-7-14;/h1-9,16-17,22H,10-13H2,(H,24,25)(H,27,28);1H/t16-,17-;/m0./s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50421711
(CHEMBL2447978)Show SMILES Cl.OC(=O)CN1C(=O)[C@@H](Cc2ccccc12)N[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H22N2O5.ClH/c24-19(25)13-23-18-9-5-4-8-15(18)12-17(20(23)26)22-16(21(27)28)11-10-14-6-2-1-3-7-14;/h1-9,16-17,22H,10-13H2,(H,24,25)(H,27,28);1H/t16-,17+;/m0./s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
J Med Chem 28: 1511-6 (1985)
BindingDB Entry DOI: 10.7270/Q2BR8SRQ |
More data for this
Ligand-Target Pair | |
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