Found 47 hits of ki data for polymerid = 2160 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 2
(Homo sapiens (Human)) | BDBM21464
(2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...)Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14| Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.130 | -56.4 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21474
(3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanoyl]p...)Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O |c:17| Show InChI InChI=1S/C25H30N5O7P/c1-16(31)28-22(11-19-13-26-15-27-19)24(32)30-9-5-8-23(30)38(35,36)14-18(25(33)34)10-20-12-21(29-37-20)17-6-3-2-4-7-17/h2-4,6-8,12-13,15,18,22,35-36,38H,5,9-11,14H2,1H3,(H,26,27)(H,28,31)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | -53.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21470
(2-benzyl-3-({1-[2-acetamido-3-(1H-imidazol-4-yl)pr...)Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:17| Show InChI InChI=1S/C22H29N4O6P/c1-15(27)25-19(11-18-12-23-14-24-18)21(28)26-9-5-8-20(26)33(31,32)13-17(22(29)30)10-16-6-3-2-4-7-16/h2-4,6-8,12,14,17,19,31-33H,5,9-11,13H2,1H3,(H,23,24)(H,25,27)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | -52.3 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21473
(3-{[1-(2-acetamido-4-methylpentanoyl)pyrrolidin-2-...)Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O |c:14| Show InChI InChI=1S/C25H34N3O7P/c1-16(2)12-22(26-17(3)29)24(30)28-11-7-10-23(28)36(33,34)15-19(25(31)32)13-20-14-21(27-35-20)18-8-5-4-6-9-18/h4-6,8-10,14,16,19,22,33-34,36H,7,11-13,15H2,1-3H3,(H,26,29)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.25 | -50.8 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411731
(CHEMBL257726)Show SMILES CC[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C19H21NO3S/c1-2-17(24)18(21)20-16(19(22)23)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16-17,24H,2,12H2,1H3,(H,20,21)(H,22,23)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411736
(CHEMBL271225)Show SMILES CC(C)C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-14(2)12-19(26)20(23)22-18(21(24)25)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,26H,12-13H2,1-2H3,(H,22,23)(H,24,25)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411733
(CHEMBL269997)Show SMILES CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H23NO3S/c1-13(2)18(25)19(22)21-17(20(23)24)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18,25H,12H2,1-2H3,(H,21,22)(H,23,24)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411605
(CHEMBL252391)Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411729
(CHEMBL269996)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411730
(CHEMBL257270)Show SMILES CCCC[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-2-3-9-19(26)20(23)22-18(21(24)25)14-15-10-12-17(13-11-15)16-7-5-4-6-8-16/h4-8,10-13,18-19,26H,2-3,9,14H2,1H3,(H,22,23)(H,24,25)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411737
(CHEMBL404117)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCCC1 Show InChI InChI=1S/C22H25NO3S/c24-21(20(27)18-8-4-5-9-18)23-19(22(25)26)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-3,6-7,10-13,18-20,27H,4-5,8-9,14H2,(H,23,24)(H,25,26)/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411728
(CHEMBL257229)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCC1 Show InChI InChI=1S/C21H23NO3S/c23-20(19(26)17-7-4-8-17)22-18(21(24)25)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-3,5-6,9-12,17-19,26H,4,7-8,13H2,(H,22,23)(H,24,25)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | CHEMBL5275219
Show InChI InChI=1S/C16H22N2OS/c1-2-3-4-5-9-12-18-15(19)14(17-16(18)20)13-10-7-6-8-11-13/h6-8,10-11,19H,2-5,9,12H2,1H3,(H,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
CHEMBL
PC cid
PC sid
UniChem
Similars
| | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50326045
(CHEMBL1240682)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(O)=O)NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:106.112,55.62,21.24,147.156,91.94,179.190,4.4,124.131,wD:153.162,175.187,190.203,8.7,43.54,37.41,27.35,15.18,138.147,154.165,160.169,110.115,68.70,79.81,(26.05,-7.23,;26.13,-5.69,;24.83,-4.85,;27.49,-4.99,;27.57,-3.46,;28.94,-2.76,;30.27,-3.54,;30.25,-5.08,;31.52,-2.65,;31.53,-1.11,;33,-.64,;33.89,-1.89,;32.98,-3.13,;33.67,-4.51,;32.88,-5.83,;35.21,-4.52,;35.99,-3.2,;37.53,-3.21,;35.96,-5.86,;37.5,-5.87,;38.28,-4.55,;38.26,-7.21,;37.48,-8.54,;38.23,-9.88,;39.8,-7.22,;40.58,-5.9,;39.82,-4.56,;42.12,-5.92,;42.78,-4.52,;41.91,-3.26,;40.37,-3.21,;39.94,-1.74,;41.21,-.87,;42.43,-1.81,;42.88,-7.25,;44.42,-7.27,;45.19,-5.94,;45.17,-8.61,;46.71,-8.62,;47.5,-7.31,;44.39,-9.93,;45.15,-11.27,;44.37,-12.6,;46.69,-11.28,;47.47,-9.96,;49.01,-9.98,;49.79,-8.65,;51.33,-8.66,;52.09,-10,;53.64,-10.02,;51.3,-11.33,;49.77,-11.31,;47.44,-12.63,;46.66,-13.96,;45.12,-13.94,;47.42,-15.29,;48.96,-15.31,;49.74,-13.98,;51.29,-14,;48.98,-12.64,;46.64,-16.62,;45.1,-16.6,;44.32,-17.93,;44.35,-15.27,;42.81,-15.25,;26.27,-2.62,;26.36,-1.08,;24.9,-3.31,;23.6,-2.48,;23.57,-.95,;22.22,-.2,;22.2,1.35,;20.86,2.11,;20.82,3.65,;22.14,4.44,;19.48,4.41,;22.23,-3.18,;22.15,-4.72,;20.94,-2.34,;19.56,-3.04,;18.27,-2.2,;16.9,-2.9,;15.61,-2.07,;14.23,-2.77,;14.16,-4.3,;12.81,-4.98,;15.45,-5.14,;16.82,-4.45,;19.49,-4.58,;20.78,-5.41,;18.11,-5.27,;18.02,-6.8,;19.74,-7.82,;19.73,-9.36,;21.05,-10.15,;21.03,-11.69,;19.69,-12.44,;19.69,-13.96,;18.36,-11.66,;18.39,-10.12,;16.24,-7.72,;14.96,-6.88,;16.08,-9.25,;17.22,-10.47,;16.41,-11.95,;14.76,-11.64,;14.83,-10.1,;13.48,-9.35,;13.46,-7.8,;12.16,-10.14,;10.81,-9.4,;10.78,-7.87,;9.43,-7.12,;8.19,-8.02,;6.94,-7.12,;7.43,-5.66,;6.65,-4.32,;7.43,-2.99,;8.96,-2.98,;9.73,-4.32,;8.97,-5.66,;9.49,-10.2,;9.52,-11.73,;8.14,-9.44,;6.82,-10.23,;6.85,-11.77,;5.53,-12.56,;4.26,-11.68,;3.04,-12.62,;3.55,-14.07,;2.81,-15.42,;3.61,-16.73,;5.14,-16.7,;5.88,-15.35,;5.08,-14.04,;5.48,-9.48,;5.45,-7.94,;4.15,-10.26,;2.78,-9.54,;2.77,-7.99,;1.41,-7.26,;1.38,-5.71,;.03,-4.97,;.03,-3.4,;1.47,-10.32,;1.49,-11.86,;.13,-9.56,;-1.18,-10.37,;-1.15,-11.9,;-2.49,-12.7,;-2.54,-9.62,;-2.56,-8.08,;-3.85,-10.41,;-5.19,-9.66,;-5.21,-8.12,;-3.91,-7.33,;-6.56,-7.36,;-6.52,-10.46,;-6.49,-12,;-7.86,-9.7,;-9.19,-10.48,;-10.54,-9.74,;-10.56,-8.2,;-9.24,-7.41,;-9.27,-5.88,;-10.64,-5.13,;-10.63,-3.57,;-11.94,-5.92,;-11.91,-7.45,;-9.16,-12.03,;-7.82,-12.77,;-10.34,-13.01,;-11.99,-12.72,;-12.8,-14.2,;-11.64,-15.41,;-10.36,-14.51,;-9.08,-15.37,;-7.74,-14.61,;-9.07,-16.91,;-7.76,-17.71,;-6.42,-16.97,;-5.09,-17.75,;-3.72,-16.98,;-5.1,-19.29,;-7.78,-19.26,;-6.45,-20.05,;-8.97,-20.22,;-10.61,-19.91,;-11.45,-21.38,;-10.29,-22.6,;-9,-21.72,;-7.67,-22.47,;-6.33,-21.64,;-7.62,-24,)| Show InChI InChI=1S/C128H168N30O34S2/c1-66(2)47-85(145-119(183)100-22-13-45-157(100)126(190)96(62-160)151-117(181)97(63-193)153-114(178)90(54-74-60-133-65-137-74)144-116(180)95(61-159)150-111(175)87(49-69-27-35-76(163)36-28-69)142-115(179)91(55-104(167)168)138-103(166)57-130)109(173)140-84(20-10-42-134-128(131)132)107(171)141-86(48-68-25-33-75(162)34-26-68)110(174)147-92(50-70-29-37-77(164)38-30-70)123(187)155-43-11-21-99(155)120(184)146-89(53-73-59-136-82-18-7-5-16-80(73)82)113(177)143-88(52-72-58-135-81-17-6-4-15-79(72)81)112(176)139-83(19-8-9-41-129)108(172)152-98(64-194)118(182)154-106(67(3)161)122(186)149-93(51-71-31-39-78(165)40-32-71)124(188)156-44-12-23-101(156)121(185)148-94(56-105(169)170)125(189)158-46-14-24-102(158)127(191)192/h4-7,15-18,25-40,58-60,65-67,83-102,106,135-136,159-165,193-194H,8-14,19-24,41-57,61-64,129-130H2,1-3H3,(H,133,137)(H,138,166)(H,139,176)(H,140,173)(H,141,171)(H,142,179)(H,143,177)(H,144,180)(H,145,183)(H,146,184)(H,147,174)(H,148,185)(H,149,186)(H,150,175)(H,151,181)(H,152,172)(H,153,178)(H,154,182)(H,167,168)(H,169,170)(H,191,192)(H4,131,132,134)/t67-,83+,84+,85+,86+,87+,88+,89+,90+,91-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,106+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Molecular Biology, Medical Research Council
Curated by ChEMBL
| Assay Description
Binding affinity to angiotensin converting enzyme 2 |
Nat Chem Biol 5: 502-7 (2009)
Article DOI: 10.1038/nchembio.184
BindingDB Entry DOI: 10.7270/Q2Z60P9P |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21467
(2-benzyl-3-({1-[2-acetamido-3-(4-hydroxyphenyl)pro...)Show SMILES CC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:19| Show InChI InChI=1S/C25H31N2O7P/c1-17(28)26-22(15-19-9-11-21(29)12-10-19)24(30)27-13-5-8-23(27)35(33,34)16-20(25(31)32)14-18-6-3-2-4-7-18/h2-4,6-12,20,22,29,33-35H,5,13-16H2,1H3,(H,26,28)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | -47.3 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21468
(2-benzyl-3-{[1-(2-acetamido-3-phenylpropanoyl)pyrr...)Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:18| Show InChI InChI=1S/C25H31N2O6P/c1-18(28)26-22(16-20-11-6-3-7-12-20)24(29)27-14-8-13-23(27)34(32,33)17-21(25(30)31)15-19-9-4-2-5-10-19/h2-7,9-13,21-22,32-34H,8,14-17H2,1H3,(H,26,28)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | -47.3 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21465
(3-{[1-(6-amino-2-acetamidohexanoyl)pyrrolidin-2-yl...)Show SMILES CC(=O)NC(CCCCN)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:15| Show InChI InChI=1S/C22H34N3O6P/c1-16(26)24-19(10-5-6-12-23)21(27)25-13-7-11-20(25)32(30,31)15-18(22(28)29)14-17-8-3-2-4-9-17/h2-4,8-9,11,18-19,30-32H,5-7,10,12-15,23H2,1H3,(H,24,26)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | -46.7 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21469
(2-benzyl-3-{[1-(2-acetamido-3-methylbutanoyl)pyrro...)Show SMILES CC(C)C(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:13| Show InChI InChI=1S/C21H31N2O6P/c1-14(2)19(22-15(3)24)20(25)23-11-7-10-18(23)30(28,29)13-17(21(26)27)12-16-8-5-4-6-9-16/h4-6,8-10,14,17,19,28-30H,7,11-13H2,1-3H3,(H,22,24)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | -46.7 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411734
(CHEMBL257727)Show SMILES C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C18H19NO3S/c1-12(23)17(20)19-16(18(21)22)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16,23H,11H2,1H3,(H,19,20)(H,21,22)/t12-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21466
(5-{2-[(2-benzyl-2-carboxyethyl)(hydroxy)phosphoryl...)Show SMILES CC(=O)NC(CCC(O)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:15| Show InChI InChI=1S/C21H29N2O8P/c1-14(24)22-17(9-10-19(25)26)20(27)23-11-5-8-18(23)32(30,31)13-16(21(28)29)12-15-6-3-2-4-7-15/h2-4,6-8,16-17,30-32H,5,9-13H2,1H3,(H,22,24)(H,25,26)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | -46.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411725
(CHEMBL271223)Show SMILES CC(C)(C)C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H27NO3S/c1-22(2,3)14-19(27)20(24)23-18(21(25)26)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18-19,27H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21463
(2-benzyl-3-{[1-(2-acetamidopropanoyl)pyrrolidin-2-...)Show SMILES CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:11| Show InChI InChI=1S/C19H27N2O6P/c1-13(20-14(2)22)18(23)21-10-6-9-17(21)28(26,27)12-16(19(24)25)11-15-7-4-3-5-8-15/h3-5,7-9,13,16,26-28H,6,10-12H2,1-2H3,(H,20,22)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | -46.4 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411727
(CHEMBL257026)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCCCC1 Show InChI InChI=1S/C23H27NO3S/c25-22(21(28)19-9-5-2-6-10-19)24-20(23(26)27)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,19-21,28H,2,5-6,9-10,15H2,(H,24,25)(H,26,27)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411726
(CHEMBL437595)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)c1ccccc1 Show InChI InChI=1S/C23H21NO3S/c25-22(21(28)19-9-5-2-6-10-19)24-20(23(26)27)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-14,20-21,28H,15H2,(H,24,25)(H,26,27)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50286715
((S)-3-biphenyl-4-yl-2-((S)-2-mercapto-3-phenyl-pro...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21475
(3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanamido...)Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(C)=O)P(O)(=O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C26H34N5O7P/c1-16(2)9-24(30-25(33)23(29-17(3)32)11-20-13-27-15-28-20)39(36,37)14-19(26(34)35)10-21-12-22(31-38-21)18-7-5-4-6-8-18/h4-8,12-13,15-16,19,23-24H,9-11,14H2,1-3H3,(H,27,28)(H,29,32)(H,30,33)(H,34,35)(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | -38.0 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21452
(2-benzyl-3-({1-[(benzyloxy)carbonyl]pyrrolidin-2-y...)Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1 |t:16| Show InChI InChI=1S/C22H26NO6P/c24-21(25)19(14-17-8-3-1-4-9-17)16-30(27,28)20-12-7-13-23(20)22(26)29-15-18-10-5-2-6-11-18/h1-6,8-12,19,27-28,30H,7,13-16H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | -37.2 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21454
(2-[({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}(hydro...)Show SMILES CC(C)CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O |t:9| Show InChI InChI=1S/C19H28NO6P/c1-14(2)11-16(18(21)22)13-27(24,25)17-9-6-10-20(17)19(23)26-12-15-7-4-3-5-8-15/h3-5,7-9,14,16,24-25,27H,6,10-13H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | -37.2 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411722
(CHEMBL258333)Show InChI InChI=1S/C17H17NO3S/c19-16(11-22)18-15(17(20)21)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,22H,10-11H2,(H,18,19)(H,20,21)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411724
(CHEMBL271224)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)CC1CCCCC1 Show InChI InChI=1S/C24H29NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h2,5-6,9-14,17,21-22,29H,1,3-4,7-8,15-16H2,(H,25,26)(H,27,28)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411723
(CHEMBL272925)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C28H25NO3S/c30-27(26(33)18-20-12-15-22-8-4-5-9-24(22)16-20)29-25(28(31)32)17-19-10-13-23(14-11-19)21-6-2-1-3-7-21/h1-16,25-26,33H,17-18H2,(H,29,30)(H,31,32)/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21472
(2-benzyl-3-({1-[2-acetamido-3-(1H-imidazol-4-yl)pr...)Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(C)=O)P(O)(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C23H33N4O6P/c1-15(2)9-21(27-22(29)20(26-16(3)28)11-19-12-24-14-25-19)34(32,33)13-18(23(30)31)10-17-7-5-4-6-8-17/h4-8,12,14-15,18,20-21H,9-11,13H2,1-3H3,(H,24,25)(H,26,28)(H,27,29)(H,30,31)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | -34.8 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411735
(CHEMBL402987)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)CCc1ccccc1 Show InChI InChI=1S/C25H25NO3S/c27-24(23(30)16-13-18-7-3-1-4-8-18)26-22(25(28)29)17-19-11-14-21(15-12-19)20-9-5-2-6-10-20/h1-12,14-15,22-23,30H,13,16-17H2,(H,26,27)(H,28,29)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21471
(2-benzyl-3-{[1-(2-acetamido-4-methylpentanamido)-2...)Show SMILES CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 920 | -34.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50286724
((S)-3-Biphenyl-4-yl-2-((R)-2-mercapto-3-phenyl-pro...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](S)Cc1ccccc1 Show InChI InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50411732
(CHEMBL404044)Show SMILES CC(C)(S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C19H21NO3S/c1-19(2,24)18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,24H,12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay |
Bioorg Med Chem Lett 18: 732-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21455
(3-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}(hydrox...)Show SMILES CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O |t:6| Show InChI InChI=1S/C16H22NO6P/c1-12(15(18)19)11-24(21,22)14-8-5-9-17(14)16(20)23-10-13-6-3-2-4-7-13/h2-4,6-8,12,21-22,24H,5,9-11H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | -31.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21458
(2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}-3-meth...)Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C23H30NO6P/c1-17(2)13-21(24-23(27)30-15-19-11-7-4-8-12-19)31(28,29)16-20(22(25)26)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,24,27)(H,25,26)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+3 | -29.1 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21456
(2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}ethyl)(...)Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C20H24NO6P/c1-15(21-20(24)27-13-17-10-6-3-7-11-17)28(25,26)14-18(19(22)23)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)(H,22,23)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21457
(2-benzyl-3-[(1-{[(benzyloxy)carbonyl]amino}-2-phen...)Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H28NO6P/c28-25(29)23(16-20-10-4-1-5-11-20)19-34(31,32)24(17-21-12-6-2-7-13-21)27-26(30)33-18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,30)(H,28,29)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21462
(2-benzyl-3-[hydroxy(pyrrolidin-2-yl)phosphoryl]pro...)Show InChI InChI=1S/C14H20NO4P/c16-14(17)12(9-11-5-2-1-3-6-11)10-20(18,19)13-7-4-8-15-13/h1-3,5-6,12,18-20H,4,7-10H2,(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21459
(3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-benzylprop...)Show InChI InChI=1S/C12H18NO4P/c1-9(13)18(16,17)8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13,16-18H,7-8H2,1H3,(H,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21460
(3-[(1-amino-2-phenylethyl)(hydroxy)phosphoryl]-2-b...)Show InChI InChI=1S/C18H22NO4P/c19-17(12-15-9-5-2-6-10-15)24(22,23)13-16(18(20)21)11-14-7-3-1-4-8-14/h1-10,16,19,22-24H,11-13H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM21461
(3-[(1-amino-3-methylbutyl)(hydroxy)phosphoryl]-2-b...)Show InChI InChI=1S/C15H24NO4P/c1-11(2)8-14(16)21(19,20)10-13(15(17)18)9-12-6-4-3-5-7-12/h3-7,11,13,16,19-21H,8-10H2,1-2H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
University of Athens
| Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra... |
J Med Chem 51: 2216-2226 (2008)
Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)Show InChI InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 4.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Functional Histamine H1 receptor antagonistic activity in vitro assay on guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)Show InChI InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 4.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)Show InChI InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
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