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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'pavar' and Initial = 'mc'   
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


(Homo sapiens (Human))
BDBM50182329
PNG
(CHEMBL383507 | TA-Orn-Pro)
Show SMILES NCCC[C@H](NC(=O)[C@@H](N)Cc1ccsc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H26N4O4S/c18-6-1-3-13(16(23)21-7-2-4-14(21)17(24)25)20-15(22)12(19)9-11-5-8-26-10-11/h5,8,10,12-14H,1-4,6-7,9,18-19H2,(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Institute of Genomics and Integrative Biology

Curated by ChEMBL


Assay Description
Inhibition of ACE in bovine kidney


Bioorg Med Chem Lett 16: 2117-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.061
BindingDB Entry DOI: 10.7270/Q2DB81DM
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50182331
PNG
(CHEMBL381557 | HTP-Orn-Pro)
Show SMILES NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H29N5O5/c22-7-1-3-17(20(29)26-8-2-4-18(26)21(30)31)25-19(28)15(23)9-12-11-24-16-6-5-13(27)10-14(12)16/h5-6,10-11,15,17-18,24,27H,1-4,7-9,22-23H2,(H,25,28)(H,30,31)/t15-,17-,18-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Genomics and Integrative Biology

Curated by ChEMBL


Assay Description
Inhibition of ACE in bovine kidney


Bioorg Med Chem Lett 16: 2117-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.061
BindingDB Entry DOI: 10.7270/Q2DB81DM
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50182330
PNG
(BPA-Lys-Pro | CHEMBL204944)
Show SMILES NCCC[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C20H27N5O4/c21-11-3-7-15(19(27)25-12-4-8-16(25)20(28)29)24-18(26)10-9-17-22-13-5-1-2-6-14(13)23-17/h1-2,5-6,15-16H,3-4,7-12,21H2,(H,22,23)(H,24,26)(H,28,29)/t15-,16-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Genomics and Integrative Biology

Curated by ChEMBL


Assay Description
Inhibition of ACE in bovine kidney


Bioorg Med Chem Lett 16: 2117-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.061
BindingDB Entry DOI: 10.7270/Q2DB81DM
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50182328
PNG
(CHEMBL378864 | MTP-Orn-Pro)
Show SMILES CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C22H31N5O4/c1-24-18(12-14-13-25-16-7-3-2-6-15(14)16)20(28)26-17(8-4-10-23)21(29)27-11-5-9-19(27)22(30)31/h2-3,6-7,13,17-19,24-25H,4-5,8-12,23H2,1H3,(H,26,28)(H,30,31)/t17-,18-,19-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Genomics and Integrative Biology

Curated by ChEMBL


Assay Description
Inhibition of ACE in bovine kidney


Bioorg Med Chem Lett 16: 2117-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.061
BindingDB Entry DOI: 10.7270/Q2DB81DM
More data for this
Ligand-Target Pair