Found 56 hits of Enzyme Inhibition Constant Data 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 |
|---|
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM23971
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308812
(CHEMBL597331 | N-((S)-1-((S)-1-(Hydroxyamino)-5-(3...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NO)=N[N+]([O-])=O |r,w:31.33| Show InChI InChI=1S/C22H27N7O6/c23-22(27-29(34)35)24-13-7-12-17(21(32)28-33)25-20(31)18(14-15-8-3-1-4-9-15)26-19(30)16-10-5-2-6-11-16/h1-6,8-11,17-18,33H,7,12-14H2,(H,25,31)(H,26,30)(H,28,32)(H3,23,24,27)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308813
(2,4-Dichloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-n...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)C(=O)NO)=N[N+]([O-])=O |r,w:33.35| Show InChI InChI=1S/C22H25Cl2N7O6/c23-14-8-9-15(16(24)12-14)19(32)28-18(11-13-5-2-1-3-6-13)20(33)27-17(21(34)30-35)7-4-10-26-22(25)29-31(36)37/h1-3,5-6,8-9,12,17-18,35H,4,7,10-11H2,(H,27,33)(H,28,32)(H,30,34)(H3,25,26,29)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308810
(2-Chloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-nitro...)Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:25.26| Show InChI InChI=1S/C19H28ClN7O6/c1-11(2)10-15(24-16(28)12-6-3-4-7-13(12)20)17(29)23-14(18(30)26-31)8-5-9-22-19(21)25-27(32)33/h3-4,6-7,11,14-15,31H,5,8-10H2,1-2H3,(H,23,29)(H,24,28)(H,26,30)(H3,21,22,25)/t14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308809
(CHEMBL597936 | N-((S)-1-((S)-1-(Hydroxyamino)-5-(3...)Show SMILES CC(C)[C@H](NC(=O)c1ccccc1I)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:24.25| Show InChI InChI=1S/C18H26IN7O6/c1-10(2)14(23-15(27)11-6-3-4-7-12(11)19)17(29)22-13(16(28)25-30)8-5-9-21-18(20)24-26(31)32/h3-4,6-7,10,13-14,30H,5,8-9H2,1-2H3,(H,22,29)(H,23,27)(H,25,28)(H3,20,21,24)/t13-,14-/m0/s1 | PDB
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PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308811
(2,4-Dichloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-n...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:26.27| Show InChI InChI=1S/C19H27Cl2N7O6/c1-10(2)8-15(25-16(29)12-6-5-11(20)9-13(12)21)17(30)24-14(18(31)27-32)4-3-7-23-19(22)26-28(33)34/h5-6,9-10,14-15,32H,3-4,7-8H2,1-2H3,(H,24,30)(H,25,29)(H,27,31)(H3,22,23,26)/t14-,15-/m0/s1 | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308796
(CHEMBL591441 | tert-Butyl(S)-1-((S)-1-((S)-1-(hydr...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:34.35| Show InChI InChI=1S/C26H42N8O8/c1-16(2)14-19(21(35)29-18(23(37)33-39)12-9-13-28-24(27)32-34(40)41)30-22(36)20(15-17-10-7-6-8-11-17)31-25(38)42-26(3,4)5/h6-8,10-11,16,18-20,39H,9,12-15H2,1-5H3,(H,29,35)(H,30,36)(H,31,38)(H,33,37)(H3,27,28,32)/t18-,19-,20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308807
(CHEMBL597736 | N-((S)-1-((S)-1-(Hydroxyamino)-5-(3...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.24| Show InChI InChI=1S/C17H25N7O7/c1-10(20-15(26)11-5-7-12(31-2)8-6-11)14(25)21-13(16(27)23-28)4-3-9-19-17(18)22-24(29)30/h5-8,10,13,28H,3-4,9H2,1-2H3,(H,20,26)(H,21,25)(H,23,27)(H3,18,19,22)/t10-,13-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308793
(CHEMBL597106 | tert-Butyl(S)-1-(2-((S)-1-(hydroxya...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:27.27| Show InChI InChI=1S/C19H36N8O8/c1-11(2)9-13(24-18(31)35-19(3,4)5)15(29)22-10-14(28)23-12(16(30)26-32)7-6-8-21-17(20)25-27(33)34/h11-13,32H,6-10H2,1-5H3,(H,22,29)(H,23,28)(H,24,31)(H,26,30)(H3,20,21,25)/t12-,13-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308808
(2,4-Dichloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-n...)Show SMILES C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.24| Show InChI InChI=1S/C16H21Cl2N7O6/c1-8(21-14(27)10-5-4-9(17)7-11(10)18)13(26)22-12(15(28)24-29)3-2-6-20-16(19)23-25(30)31/h4-5,7-8,12,29H,2-3,6H2,1H3,(H,21,27)(H,22,26)(H,24,28)(H3,19,20,23)/t8-,12-/m0/s1 | PDB
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PubMed
| n/a | n/a | 3.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308795
(CHEMBL599356 | tert-Butyl(S)-1-((S)-1-((S)-1-(hydr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:33.34| Show InChI InChI=1S/C25H40N8O8/c1-15(2)19(22(36)28-17(21(35)32-38)12-9-13-27-23(26)31-33(39)40)30-20(34)18(14-16-10-7-6-8-11-16)29-24(37)41-25(3,4)5/h6-8,10-11,15,17-19,38H,9,12-14H2,1-5H3,(H,28,36)(H,29,37)(H,30,34)(H,32,35)(H3,26,27,31)/t17-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308803
((S)-2-((S)-2-((S)-2-Amino-3-phenylpropanamido)-4-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:27.28| Show InChI InChI=1S/C21H34N8O6/c1-13(2)11-17(26-18(30)15(22)12-14-7-4-3-5-8-14)19(31)25-16(20(32)28-33)9-6-10-24-21(23)27-29(34)35/h3-5,7-8,13,15-17,33H,6,9-12,22H2,1-2H3,(H,25,31)(H,26,30)(H,28,32)(H3,23,24,27)/t15-,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308794
(CHEMBL597107 | tert-Butyl(S)-1-((S)-1-((S)-1-(hydr...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:28.28| Show InChI InChI=1S/C20H38N8O8/c1-11(2)10-14(25-19(32)36-20(4,5)6)16(30)23-12(3)15(29)24-13(17(31)27-33)8-7-9-22-18(21)26-28(34)35/h11-14,33H,7-10H2,1-6H3,(H,23,30)(H,24,29)(H,25,32)(H,27,31)(H3,21,22,26)/t12-,13-,14-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308799
((S)-tert-Butyl 2-((S)-2-(((S)-1-(hydroxyamino)-5-(...)Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:29.31| Show InChI InChI=1S/C21H36N8O8/c1-21(2,3)37-20(33)28-12-6-9-15(28)18(32)27-11-5-8-14(27)17(31)24-13(16(30)26-34)7-4-10-23-19(22)25-29(35)36/h13-15,34H,4-12H2,1-3H3,(H,24,31)(H,26,30)(H3,22,23,25)/t13-,14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308806
((S)-N-((S)-1-(Hydroxyamino)-5-(3-nitroguanidino)-1...)Show SMILES NC(NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)NO)=N[N+]([O-])=O |r,w:26.28| Show InChI InChI=1S/C16H28N8O6/c17-16(21-24(29)30)19-8-1-4-10(13(25)22-28)20-14(26)12-6-3-9-23(12)15(27)11-5-2-7-18-11/h10-12,18,28H,1-9H2,(H,20,26)(H,22,25)(H3,17,19,21)/t10-,11-,12-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308802
((S)-2-((S)-2-((S)-2-Amino-3-phenylpropanamido)-3-m...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:26.27| Show InChI InChI=1S/C20H32N8O6/c1-12(2)16(25-17(29)14(21)11-13-7-4-3-5-8-13)19(31)24-15(18(30)27-32)9-6-10-23-20(22)26-28(33)34/h3-5,7-8,12,14-16,32H,6,9-11,21H2,1-2H3,(H,24,31)(H,25,29)(H,27,30)(H3,22,23,26)/t14-,15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308816
(CHEMBL590394 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...)Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.23| Show InChI InChI=1S/C16H31N7O7S/c1-16(2,3)30-15(26)20-11(7-9-31-4)12(24)19-10(13(25)22-27)6-5-8-18-14(17)21-23(28)29/h10-11,27H,5-9H2,1-4H3,(H,19,24)(H,20,26)(H,22,25)(H3,17,18,21)/t10-,11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308801
((S)-2-((S)-2-((S)-2-Amino-4-methylpentanamido)prop...)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:21.21| Show InChI InChI=1S/C15H30N8O6/c1-8(2)7-10(16)13(25)19-9(3)12(24)20-11(14(26)22-27)5-4-6-18-15(17)21-23(28)29/h8-11,27H,4-7,16H2,1-3H3,(H,19,25)(H,20,24)(H,22,26)(H3,17,18,21)/t9-,10-,11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308814
(CHEMBL591300 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...)Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:22.22| Show InChI InChI=1S/C16H31N7O7/c1-9(2)11(20-15(26)30-16(3,4)5)13(25)19-10(12(24)22-27)7-6-8-18-14(17)21-23(28)29/h9-11,27H,6-8H2,1-5H3,(H,19,25)(H,20,26)(H,22,24)(H3,17,18,21)/t10-,11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308800
((S)-2-(2-((S)-2-Amino-4-methylpentanamido)acetamid...)Show SMILES CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:20.20| Show InChI InChI=1S/C14H28N8O6/c1-8(2)6-9(15)12(24)18-7-11(23)19-10(13(25)21-26)4-3-5-17-14(16)20-22(27)28/h8-10,26H,3-7,15H2,1-2H3,(H,18,24)(H,19,23)(H,21,25)(H3,16,17,20)/t9-,10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308819
((S)-2-((S)-2-Amino-4-(methylthio)butanamido)-N-hyd...)Show SMILES CSCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:17.17| Show InChI InChI=1S/C12H25N7O5S/c1-25-7-3-4-8(13)10(20)16-9(11(21)18-22)5-2-6-15-12(14)17-19(23)24/h8-9,22H,2-7,13H2,1H3,(H,16,20)(H,18,21)(H3,14,15,17)/t8-,9-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308805
((S)-N-((S)-1-((S)-1-(Hydroxyamino)-5-(3-nitroguani...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)NO)=N[N+]([O-])=O |r,w:31.33| Show InChI InChI=1S/C20H30N8O7/c21-20(26-28(34)35)23-10-2-4-15(19(32)27-33)24-18(31)16(11-12-5-7-13(29)8-6-12)25-17(30)14-3-1-9-22-14/h5-8,14-16,22,29,33H,1-4,9-11H2,(H,24,31)(H,25,30)(H,27,32)(H3,21,23,26)/t14-,15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM23971
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308817
((S)-2-((S)-2-Amino-3-methylbutanamido)-N-hydroxy-5...)Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:15.15| Show InChI InChI=1S/C11H23N7O5/c1-6(2)8(12)10(20)15-7(9(19)17-21)4-3-5-14-11(13)16-18(22)23/h6-8,21H,3-5,12H2,1-2H3,(H,15,20)(H,17,19)(H3,13,14,16)/t7-,8-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308815
(CHEMBL590393 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.23| Show InChI InChI=1S/C17H33N7O7/c1-10(2)9-12(21-16(27)31-17(3,4)5)13(25)20-11(14(26)23-28)7-6-8-19-15(18)22-24(29)30/h10-12,28H,6-9H2,1-5H3,(H,20,25)(H,21,27)(H,23,26)(H3,18,19,22)/t11-,12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.34E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308804
((S)-N-((S)-1-((S)-1-(Hydroxyamino)-5-(3-nitroguani...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NO)=N[N+]([O-])=O |r,w:30.32| Show InChI InChI=1S/C20H30N8O6/c21-20(26-28(33)34)23-11-5-9-15(19(31)27-32)24-18(30)16(12-13-6-2-1-3-7-13)25-17(29)14-8-4-10-22-14/h1-3,6-7,14-16,22,32H,4-5,8-12H2,(H,24,30)(H,25,29)(H,27,31)(H3,21,23,26)/t14-,15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308818
((S)-2-((S)-2-Amino-4-methylpentamido)-N-hydroxy-5-...)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:16.16| Show InChI InChI=1S/C12H25N7O5/c1-7(2)6-8(13)10(20)16-9(11(21)18-22)4-3-5-15-12(14)17-19(23)24/h7-9,22H,3-6,13H2,1-2H3,(H,16,20)(H,18,21)(H3,14,15,17)/t8-,9-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308796
(CHEMBL591441 | tert-Butyl(S)-1-((S)-1-((S)-1-(hydr...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:34.35| Show InChI InChI=1S/C26H42N8O8/c1-16(2)14-19(21(35)29-18(23(37)33-39)12-9-13-28-24(27)32-34(40)41)30-22(36)20(15-17-10-7-6-8-11-17)31-25(38)42-26(3,4)5/h6-8,10-11,16,18-20,39H,9,12-15H2,1-5H3,(H,29,35)(H,30,36)(H,31,38)(H,33,37)(H3,27,28,32)/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308817
((S)-2-((S)-2-Amino-3-methylbutanamido)-N-hydroxy-5...)Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:15.15| Show InChI InChI=1S/C11H23N7O5/c1-6(2)8(12)10(20)15-7(9(19)17-21)4-3-5-14-11(13)16-18(22)23/h6-8,21H,3-5,12H2,1-2H3,(H,15,20)(H,17,19)(H3,13,14,16)/t7-,8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308798
((S)-tert-Butyl 2-(((S)-1-((S)-1-(hydroxyamino)-5-(...)Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:34.36| Show InChI InChI=1S/C25H38N8O9/c1-25(2,3)42-24(38)32-13-5-7-19(32)22(37)29-18(14-15-8-10-16(34)11-9-15)20(35)28-17(21(36)31-39)6-4-12-27-23(26)30-33(40)41/h8-11,17-19,34,39H,4-7,12-14H2,1-3H3,(H,28,35)(H,29,37)(H,31,36)(H3,26,27,30)/t17-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308795
(CHEMBL599356 | tert-Butyl(S)-1-((S)-1-((S)-1-(hydr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:33.34| Show InChI InChI=1S/C25H40N8O8/c1-15(2)19(22(36)28-17(21(35)32-38)12-9-13-27-23(26)31-33(39)40)30-20(34)18(14-16-10-7-6-8-11-16)29-24(37)41-25(3,4)5/h6-8,10-11,15,17-19,38H,9,12-14H2,1-5H3,(H,28,36)(H,29,37)(H,30,34)(H,32,35)(H3,26,27,31)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308803
((S)-2-((S)-2-((S)-2-Amino-3-phenylpropanamido)-4-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:27.28| Show InChI InChI=1S/C21H34N8O6/c1-13(2)11-17(26-18(30)15(22)12-14-7-4-3-5-8-14)19(31)25-16(20(32)28-33)9-6-10-24-21(23)27-29(34)35/h3-5,7-8,13,15-17,33H,6,9-12,22H2,1-2H3,(H,25,31)(H,26,30)(H,28,32)(H3,23,24,27)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308810
(2-Chloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-nitro...)Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:25.26| Show InChI InChI=1S/C19H28ClN7O6/c1-11(2)10-15(24-16(28)12-6-3-4-7-13(12)20)17(29)23-14(18(30)26-31)8-5-9-22-19(21)25-27(32)33/h3-4,6-7,11,14-15,31H,5,8-10H2,1-2H3,(H,23,29)(H,24,28)(H,26,30)(H3,21,22,25)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50308797
((S)-tert-Butyl 2-(((S)-1-((S)-1-(hydroxyamino)-5-(...)Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:33.35| Show InChI InChI=1S/C25H38N8O8/c1-25(2,3)41-24(37)32-14-8-12-19(32)22(36)29-18(15-16-9-5-4-6-10-16)20(34)28-17(21(35)31-38)11-7-13-27-23(26)30-33(39)40/h4-6,9-10,17-19,38H,7-8,11-15H2,1-3H3,(H,28,34)(H,29,36)(H,31,35)(H3,26,27,30)/t17-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.34E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of APN from pig kidney microsomes by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308811
(2,4-Dichloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-n...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:26.27| Show InChI InChI=1S/C19H27Cl2N7O6/c1-10(2)8-15(25-16(29)12-6-5-11(20)9-13(12)21)17(30)24-14(18(31)27-32)4-3-7-23-19(22)26-28(33)34/h5-6,9-10,14-15,32H,3-4,7-8H2,1-2H3,(H,24,30)(H,25,29)(H,27,31)(H3,22,23,26)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.54E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308812
(CHEMBL597331 | N-((S)-1-((S)-1-(Hydroxyamino)-5-(3...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NO)=N[N+]([O-])=O |r,w:31.33| Show InChI InChI=1S/C22H27N7O6/c23-22(27-29(34)35)24-13-7-12-17(21(32)28-33)25-20(31)18(14-15-8-3-1-4-9-15)26-19(30)16-10-5-2-6-11-16/h1-6,8-11,17-18,33H,7,12-14H2,(H,25,31)(H,26,30)(H,28,32)(H3,23,24,27)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.65E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308801
((S)-2-((S)-2-((S)-2-Amino-4-methylpentanamido)prop...)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:21.21| Show InChI InChI=1S/C15H30N8O6/c1-8(2)7-10(16)13(25)19-9(3)12(24)20-11(14(26)22-27)5-4-6-18-15(17)21-23(28)29/h8-11,27H,4-7,16H2,1-3H3,(H,19,25)(H,20,24)(H,22,26)(H3,17,18,21)/t9-,10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308808
(2,4-Dichloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-n...)Show SMILES C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.24| Show InChI InChI=1S/C16H21Cl2N7O6/c1-8(21-14(27)10-5-4-9(17)7-11(10)18)13(26)22-12(15(28)24-29)3-2-6-20-16(19)23-25(30)31/h4-5,7-8,12,29H,2-3,6H2,1H3,(H,21,27)(H,22,26)(H,24,28)(H3,19,20,23)/t8-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.76E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308809
(CHEMBL597936 | N-((S)-1-((S)-1-(Hydroxyamino)-5-(3...)Show SMILES CC(C)[C@H](NC(=O)c1ccccc1I)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:24.25| Show InChI InChI=1S/C18H26IN7O6/c1-10(2)14(23-15(27)11-6-3-4-7-12(11)19)17(29)22-13(16(28)25-30)8-5-9-21-18(20)24-26(31)32/h3-4,6-7,10,13-14,30H,5,8-9H2,1-2H3,(H,22,29)(H,23,27)(H,25,28)(H3,20,21,24)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.78E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308816
(CHEMBL590394 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...)Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.23| Show InChI InChI=1S/C16H31N7O7S/c1-16(2,3)30-15(26)20-11(7-9-31-4)12(24)19-10(13(25)22-27)6-5-8-18-14(17)21-23(28)29/h10-11,27H,5-9H2,1-4H3,(H,19,24)(H,20,26)(H,22,25)(H3,17,18,21)/t10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.94E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308794
(CHEMBL597107 | tert-Butyl(S)-1-((S)-1-((S)-1-(hydr...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:28.28| Show InChI InChI=1S/C20H38N8O8/c1-11(2)10-14(25-19(32)36-20(4,5)6)16(30)23-12(3)15(29)24-13(17(31)27-33)8-7-9-22-18(21)26-28(34)35/h11-14,33H,7-10H2,1-6H3,(H,23,30)(H,24,29)(H,25,32)(H,27,31)(H3,21,22,26)/t12-,13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308793
(CHEMBL597106 | tert-Butyl(S)-1-(2-((S)-1-(hydroxya...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:27.27| Show InChI InChI=1S/C19H36N8O8/c1-11(2)9-13(24-18(31)35-19(3,4)5)15(29)22-10-14(28)23-12(16(30)26-32)7-6-8-21-17(20)25-27(33)34/h11-13,32H,6-10H2,1-5H3,(H,22,29)(H,23,28)(H,24,31)(H,26,30)(H3,20,21,25)/t12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.98E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308802
((S)-2-((S)-2-((S)-2-Amino-3-phenylpropanamido)-3-m...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:26.27| Show InChI InChI=1S/C20H32N8O6/c1-12(2)16(25-17(29)14(21)11-13-7-4-3-5-8-13)19(31)24-15(18(30)27-32)9-6-10-23-20(22)26-28(33)34/h3-5,7-8,12,14-16,32H,6,9-11,21H2,1-2H3,(H,24,31)(H,25,29)(H,27,30)(H3,22,23,26)/t14-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308814
(CHEMBL591300 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...)Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:22.22| Show InChI InChI=1S/C16H31N7O7/c1-9(2)11(20-15(26)30-16(3,4)5)13(25)19-10(12(24)22-27)7-6-8-18-14(17)21-23(28)29/h9-11,27H,6-8H2,1-5H3,(H,19,25)(H,20,26)(H,22,24)(H3,17,18,21)/t10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.46E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308800
((S)-2-(2-((S)-2-Amino-4-methylpentanamido)acetamid...)Show SMILES CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:20.20| Show InChI InChI=1S/C14H28N8O6/c1-8(2)6-9(15)12(24)18-7-11(23)19-10(13(25)21-26)4-3-5-17-14(16)20-22(27)28/h8-10,26H,3-7,15H2,1-2H3,(H,18,24)(H,19,23)(H,21,25)(H3,16,17,20)/t9-,10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.63E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308819
((S)-2-((S)-2-Amino-4-(methylthio)butanamido)-N-hyd...)Show SMILES CSCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:17.17| Show InChI InChI=1S/C12H25N7O5S/c1-25-7-3-4-8(13)10(20)16-9(11(21)18-22)5-2-6-15-12(14)17-19(23)24/h8-9,22H,2-7,13H2,1H3,(H,16,20)(H,18,21)(H3,14,15,17)/t8-,9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308798
((S)-tert-Butyl 2-(((S)-1-((S)-1-(hydroxyamino)-5-(...)Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:34.36| Show InChI InChI=1S/C25H38N8O9/c1-25(2,3)42-24(38)32-13-5-7-19(32)22(37)29-18(14-15-8-10-16(34)11-9-15)20(35)28-17(21(36)31-39)6-4-12-27-23(26)30-33(40)41/h8-11,17-19,34,39H,4-7,12-14H2,1-3H3,(H,28,35)(H,29,37)(H,31,36)(H3,26,27,30)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.52E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308818
((S)-2-((S)-2-Amino-4-methylpentamido)-N-hydroxy-5-...)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:16.16| Show InChI InChI=1S/C12H25N7O5/c1-7(2)6-8(13)10(20)16-9(11(21)18-22)4-3-5-15-12(14)17-19(23)24/h7-9,22H,3-6,13H2,1-2H3,(H,16,20)(H,18,21)(H3,14,15,17)/t8-,9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.31E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308815
(CHEMBL590393 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.23| Show InChI InChI=1S/C17H33N7O7/c1-10(2)9-12(21-16(27)31-17(3,4)5)13(25)20-11(14(26)23-28)7-6-8-19-15(18)22-24(29)30/h10-12,28H,6-9H2,1-5H3,(H,20,25)(H,21,27)(H,23,26)(H3,18,19,22)/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.68E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308805
((S)-N-((S)-1-((S)-1-(Hydroxyamino)-5-(3-nitroguani...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)NO)=N[N+]([O-])=O |r,w:31.33| Show InChI InChI=1S/C20H30N8O7/c21-20(26-28(34)35)23-10-2-4-15(19(32)27-33)24-18(31)16(11-12-5-7-13(29)8-6-12)25-17(30)14-3-1-9-22-14/h5-8,14-16,22,29,33H,1-4,9-11H2,(H,24,31)(H,25,30)(H,27,32)(H3,21,23,26)/t14-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.59E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308797
((S)-tert-Butyl 2-(((S)-1-((S)-1-(hydroxyamino)-5-(...)Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:33.35| Show InChI InChI=1S/C25H38N8O8/c1-25(2,3)41-24(37)32-14-8-12-19(32)22(36)29-18(15-16-9-5-4-6-10-16)20(34)28-17(21(35)31-38)11-7-13-27-23(26)30-33(39)40/h4-6,9-10,17-19,38H,7-8,11-15H2,1-3H3,(H,28,34)(H,29,36)(H,31,35)(H3,26,27,30)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308804
((S)-N-((S)-1-((S)-1-(Hydroxyamino)-5-(3-nitroguani...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NO)=N[N+]([O-])=O |r,w:30.32| Show InChI InChI=1S/C20H30N8O6/c21-20(26-28(33)34)23-11-5-9-15(19(31)27-32)24-18(30)16(12-13-6-2-1-3-7-13)25-17(29)14-8-4-10-22-14/h1-3,6-7,14-16,22,32H,4-5,8-12H2,(H,24,30)(H,25,29)(H,27,31)(H3,21,23,26)/t14-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.05E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308813
(2,4-Dichloro-N-((S)-1-((S)-1-(hydroxyamino)-5-(3-n...)Show SMILES NC(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)C(=O)NO)=N[N+]([O-])=O |r,w:33.35| Show InChI InChI=1S/C22H25Cl2N7O6/c23-14-8-9-15(16(24)12-14)19(32)28-18(11-13-5-2-1-3-6-13)20(33)27-17(21(34)30-35)7-4-10-26-22(25)29-31(36)37/h1-3,5-6,8-9,12,17-18,35H,4,7,10-11H2,(H,27,33)(H,28,32)(H,30,34)(H3,25,26,29)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.14E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308799
((S)-tert-Butyl 2-((S)-2-(((S)-1-(hydroxyamino)-5-(...)Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:29.31| Show InChI InChI=1S/C21H36N8O8/c1-21(2,3)37-20(33)28-12-6-9-15(28)18(32)27-11-5-8-14(27)17(31)24-13(16(30)26-34)7-4-10-23-19(22)25-29(35)36/h13-15,34H,4-12H2,1-3H3,(H,24,31)(H,26,30)(H3,22,23,25)/t13-,14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.36E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308806
((S)-N-((S)-1-(Hydroxyamino)-5-(3-nitroguanidino)-1...)Show SMILES NC(NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)NO)=N[N+]([O-])=O |r,w:26.28| Show InChI InChI=1S/C16H28N8O6/c17-16(21-24(29)30)19-8-1-4-10(13(25)22-28)20-14(26)12-6-3-9-23(12)15(27)11-5-2-7-18-11/h10-12,18,28H,1-9H2,(H,20,26)(H,22,25)(H3,17,19,21)/t10-,11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.61E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50308807
(CHEMBL597736 | N-((S)-1-((S)-1-(Hydroxyamino)-5-(3...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.24| Show InChI InChI=1S/C17H25N7O7/c1-10(20-15(26)11-5-7-12(31-2)8-6-11)14(25)21-13(16(27)23-28)4-3-9-19-17(18)22-24(29)30/h5-8,10,13,28H,3-4,9H2,1-2H3,(H,20,26)(H,21,25)(H,23,27)(H3,18,19,22)/t10-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.97E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 by spectrophotometry |
Bioorg Med Chem 18: 887-95 (2010)
Article DOI: 10.1016/j.bmc.2009.11.036
BindingDB Entry DOI: 10.7270/Q2J67H1Z |
More data for this
Ligand-Target Pair | |
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