Found 21 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271808
(CHEMBL483114 | N6-[(Benzyloxy)carbonyl]-N2-(pyrazi...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cnccn1 |r| Show InChI InChI=1S/C19H22N4O5/c24-17(16-12-20-10-11-21-16)23-15(18(25)26)8-4-5-9-22-19(27)28-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,15H,4-5,8-9,13H2,(H,22,27)(H,23,24)(H,25,26)/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
| n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271853
(CHEMBL482716 | N6-[(Benzyloxy)carbonyl]-N2-(pyridi...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C20H23N3O5/c24-18(16-9-6-11-21-13-16)23-17(19(25)26)10-4-5-12-22-20(27)28-14-15-7-2-1-3-8-15/h1-3,6-9,11,13,17H,4-5,10,12,14H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271956
(CHEMBL524523 | N6-[(Benzyloxy)carbonyl]-N2-cinnamo...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)C=Cc1ccccc1 |r,w:23.23| Show InChI InChI=1S/C23H27N3O5/c27-21(15-14-18-9-3-1-4-10-18)25-20(22(28)26-30)13-7-8-16-24-23(29)31-17-19-11-5-2-6-12-19/h1-6,9-12,14-15,20,30H,7-8,13,16-17H2,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271857
(CHEMBL520972 | N6-[(Benzyloxy)carbonyl]-N2-(3-nitr...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O7/c25-19(16-9-6-10-17(13-16)24(29)30)23-18(20(26)27)11-4-5-12-22-21(28)31-14-15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2,(H,22,28)(H,23,25)(H,26,27)/t18-/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 | 7.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271953
(CHEMBL526556 | N6-[(Benzyloxy)carbonyl]-N2-(pyridi...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C20H24N4O5/c25-18(16-9-6-11-21-13-16)23-17(19(26)24-28)10-4-5-12-22-20(27)29-14-15-7-2-1-3-8-15/h1-3,6-9,11,13,17,28H,4-5,10,12,14H2,(H,22,27)(H,23,25)(H,24,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271913
(CHEMBL500939 | N6-[(Benzyloxy)carbonyl]-N2-2-furoy...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C19H23N3O6/c23-17(22-26)15(21-18(24)16-10-6-12-27-16)9-4-5-11-20-19(25)28-13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15,26H,4-5,9,11,13H2,(H,20,25)(H,21,24)(H,22,23)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271809
(CHEMBL519318 | N6-[(Benzyloxy)carbonyl]-N2-2-furoy...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C19H22N2O6/c22-17(16-10-6-12-26-16)21-15(18(23)24)9-4-5-11-20-19(25)27-13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15H,4-5,9,11,13H2,(H,20,25)(H,21,22)(H,23,24)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271807
(CHEMBL483113 | N6-[(Benzyloxy)carbonyl]-N2-isonico...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C20H23N3O5/c24-18(16-9-12-21-13-10-16)23-17(19(25)26)8-4-5-11-22-20(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,17H,4-5,8,11,14H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271990
(CHEMBL526346 | N6-[(Benzyloxy)carbonyl]-N2-(4-brom...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C21H24BrN3O5/c22-17-11-9-16(10-12-17)19(26)24-18(20(27)25-29)8-4-5-13-23-21(28)30-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18,29H,4-5,8,13-14H2,(H,23,28)(H,24,26)(H,25,27)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271988
(CHEMBL502260 | N6-[(Benzyloxy)carbonyl]-N2-(3-nitr...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H24N4O7/c26-19(16-9-6-10-17(13-16)25(30)31)23-18(20(27)24-29)11-4-5-12-22-21(28)32-14-15-7-2-1-3-8-15/h1-3,6-10,13,18,29H,4-5,11-12,14H2,(H,22,28)(H,23,26)(H,24,27)/t18-/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 | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271954
(CHEMBL502256 | N6-[(Benzyloxy)carbonyl]-N2-(2-thie...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccs1 |r| Show InChI InChI=1S/C19H23N3O5S/c23-17(22-26)15(21-18(24)16-10-6-12-28-16)9-4-5-11-20-19(25)27-13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15,26H,4-5,9,11,13H2,(H,20,25)(H,21,24)(H,22,23)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271854
(CHEMBL482917 | N6-[(Benzyloxy)carbonyl]-N2-(2-thie...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccs1 |r| Show InChI InChI=1S/C19H22N2O5S/c22-17(16-10-6-12-27-16)21-15(18(23)24)9-4-5-11-20-19(25)26-13-14-7-2-1-3-8-14/h1-3,6-8,10,12,15H,4-5,9,11,13H2,(H,20,25)(H,21,22)(H,23,24)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271910
(CHEMBL526926 | N6-[(Benzyloxy)carbonyl]-N2-(4-brom...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C21H23BrN2O5/c22-17-11-9-16(10-12-17)19(25)24-18(20(26)27)8-4-5-13-23-21(28)29-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,23,28)(H,24,25)(H,26,27)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271912
(CHEMBL525245 | N6-[(Benzyloxy)carbonyl]-N2-(pyrazi...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cnccn1 |r| Show InChI InChI=1S/C19H23N5O5/c25-17(16-12-20-10-11-21-16)23-15(18(26)24-28)8-4-5-9-22-19(27)29-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,15,28H,4-5,8-9,13H2,(H,22,27)(H,23,25)(H,24,26)/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
| n/a | n/a | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271855
(CHEMBL483123 | N6-[(Benzyloxy)carbonyl]-N2-(2,4-di...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H22Cl2N2O5/c22-15-9-10-16(17(23)12-15)19(26)25-18(20(27)28)8-4-5-11-24-21(29)30-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H,24,29)(H,25,26)(H,27,28)/t18-/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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271909
(CHEMBL502281 | N6-[(Benzyloxy)carbonyl]-N2-(4-nitr...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O7/c25-19(16-9-11-17(12-10-16)24(29)30)23-18(20(26)27)8-4-5-13-22-21(28)31-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,28)(H,23,25)(H,26,27)/t18-/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 | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271911
(CHEMBL502282 | N6-[(Benzyloxy)carbonyl]-N2-isonico...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C20H24N4O5/c25-18(16-9-12-21-13-10-16)23-17(19(26)24-28)8-4-5-11-22-20(27)29-14-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,17,28H,4-5,8,11,14H2,(H,22,27)(H,23,25)(H,24,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271989
(CHEMBL526558 | N6-[(Benzyloxy)carbonyl]-N2-(4-nitr...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H24N4O7/c26-19(16-9-11-17(12-10-16)25(30)31)23-18(20(27)24-29)8-4-5-13-22-21(28)32-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18,29H,4-5,8,13-14H2,(H,22,28)(H,23,26)(H,24,27)/t18-/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 | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271856
(CHEMBL483320 | N6-[(Benzyloxy)carbonyl]-N2-cinnamo...)Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)C=Cc1ccccc1 |r,w:22.22| Show InChI InChI=1S/C23H26N2O5/c26-21(15-14-18-9-3-1-4-10-18)25-20(22(27)28)13-7-8-16-24-23(29)30-17-19-11-5-2-6-12-19/h1-6,9-12,14-15,20H,7-8,13,16-17H2,(H,24,29)(H,25,26)(H,27,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50271955
(CHEMBL500911 | N6-[(Benzyloxy)carbonyl]-N2-(2,4-di...)Show SMILES ONC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O5/c22-15-9-10-16(17(23)12-15)19(27)25-18(20(28)26-30)8-4-5-11-24-21(29)31-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18,30H,4-5,8,11,13H2,(H,24,29)(H,25,27)(H,26,28)/t18-/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 | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Bioorg Med Chem 16: 5473-81 (2008)
Article DOI: 10.1016/j.bmc.2008.04.012
BindingDB Entry DOI: 10.7270/Q23778J3 |
More data for this
Ligand-Target Pair | |
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