Found 37 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)) | BDBM50081778
(CHEMBL443759 | N-Benzyl-N-hydroxycarbamoylmethyl-2...)Show SMILES ONC(=O)CN(Cc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-31(35-41)24-37(23-27-13-6-2-7-14-27)32(39)25-36(22-10-15-26-11-4-1-5-12-26)33(40)34-28-18-20-30(21-19-28)42-29-16-8-3-9-17-29/h1-9,11-14,16-21,41H,10,15,22-25H2,(H,34,40)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081778
(CHEMBL443759 | N-Benzyl-N-hydroxycarbamoylmethyl-2...)Show SMILES ONC(=O)CN(Cc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-31(35-41)24-37(23-27-13-6-2-7-14-27)32(39)25-36(22-10-15-26-11-4-1-5-12-26)33(40)34-28-18-20-30(21-19-28)42-29-16-8-3-9-17-29/h1-9,11-14,16-21,41H,10,15,22-25H2,(H,34,40)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081790
(CHEMBL97513 | N-Hydroxycarbamoylmethyl-2-[3-(4-phe...)Show SMILES ONC(=O)CN(CCCCc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C36H40N4O5/c41-34(38-44)27-39(25-11-10-17-29-13-4-1-5-14-29)35(42)28-40(26-12-18-30-15-6-2-7-16-30)36(43)37-31-21-23-33(24-22-31)45-32-19-8-3-9-20-32/h1-9,13-16,19-24,44H,10-12,17-18,25-28H2,(H,37,43)(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081790
(CHEMBL97513 | N-Hydroxycarbamoylmethyl-2-[3-(4-phe...)Show SMILES ONC(=O)CN(CCCCc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C36H40N4O5/c41-34(38-44)27-39(25-11-10-17-29-13-4-1-5-14-29)35(42)28-40(26-12-18-30-15-6-2-7-16-30)36(43)37-31-21-23-33(24-22-31)45-32-19-8-3-9-20-32/h1-9,13-16,19-24,44H,10-12,17-18,25-28H2,(H,37,43)(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081785
(CHEMBL321087 | N-Hydroxycarbamoylmethyl-2-[3-(4-ph...)Show SMILES ONC(=O)CN(CCCc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C35H38N4O5/c40-33(37-43)26-38(24-10-16-28-12-4-1-5-13-28)34(41)27-39(25-11-17-29-14-6-2-7-15-29)35(42)36-30-20-22-32(23-21-30)44-31-18-8-3-9-19-31/h1-9,12-15,18-23,43H,10-11,16-17,24-27H2,(H,36,42)(H,37,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081771
(CHEMBL94887 | N-Hydroxycarbamoylmethyl-N-(1-methyl...)Show SMILES CCCC(C)N(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H38N4O5/c1-3-11-24(2)35(22-29(36)33-39)30(37)23-34(21-10-14-25-12-6-4-7-13-25)31(38)32-26-17-19-28(20-18-26)40-27-15-8-5-9-16-27/h4-9,12-13,15-20,24,39H,3,10-11,14,21-23H2,1-2H3,(H,32,38)(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081771
(CHEMBL94887 | N-Hydroxycarbamoylmethyl-N-(1-methyl...)Show SMILES CCCC(C)N(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H38N4O5/c1-3-11-24(2)35(22-29(36)33-39)30(37)23-34(21-10-14-25-12-6-4-7-13-25)31(38)32-26-17-19-28(20-18-26)40-27-15-8-5-9-16-27/h4-9,12-13,15-20,24,39H,3,10-11,14,21-23H2,1-2H3,(H,32,38)(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081802
(CHEMBL317764 | N-[2-(4-Fluoro-phenyl)-ethyl]-N-hyd...)Show SMILES ONC(=O)CN(CCc1ccc(F)cc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C34H35FN4O5/c35-28-15-13-27(14-16-28)21-23-38(24-32(40)37-43)33(41)25-39(22-7-10-26-8-3-1-4-9-26)34(42)36-29-17-19-31(20-18-29)44-30-11-5-2-6-12-30/h1-6,8-9,11-20,43H,7,10,21-25H2,(H,36,42)(H,37,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081799
(2-[1-Benzyl-3-(4-phenoxy-phenyl)-ureido]-N-hydroxy...)Show SMILES ONC(=O)CN(CCCc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-31(35-41)24-36(22-10-15-26-11-4-1-5-12-26)32(39)25-37(23-27-13-6-2-7-14-27)33(40)34-28-18-20-30(21-19-28)42-29-16-8-3-9-17-29/h1-9,11-14,16-21,41H,10,15,22-25H2,(H,34,40)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081801
(CHEMBL97454 | N-Benzhydryl-2-[1-benzhydryl-3-(4-ph...)Show SMILES ONC(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C43H38N4O5/c48-39(45-51)30-46(41(32-16-6-1-7-17-32)33-18-8-2-9-19-33)40(49)31-47(42(34-20-10-3-11-21-34)35-22-12-4-13-23-35)43(50)44-36-26-28-38(29-27-36)52-37-24-14-5-15-25-37/h1-29,41-42,51H,30-31H2,(H,44,50)(H,45,48) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081788
(CHEMBL95560 | N-Butyl-2-[1-[2-(4-fluoro-phenyl)-et...)Show SMILES CCCCN(CC(=O)NO)C(=O)CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H33FN4O5/c1-2-3-18-33(20-27(35)32-38)28(36)21-34(19-17-22-9-11-23(30)12-10-22)29(37)31-24-13-15-26(16-14-24)39-25-7-5-4-6-8-25/h4-16,38H,2-3,17-21H2,1H3,(H,31,37)(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081780
(CHEMBL316884 | N-Hydroxycarbamoylmethyl-2-[3-(4-ph...)Show SMILES ONC(=O)CN(CCCCc1ccccc1)C(=O)CN(CCCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C37H42N4O5/c42-35(39-45)28-40(26-12-10-18-30-14-4-1-5-15-30)36(43)29-41(27-13-11-19-31-16-6-2-7-17-31)37(44)38-32-22-24-34(25-23-32)46-33-20-8-3-9-21-33/h1-9,14-17,20-25,45H,10-13,18-19,26-29H2,(H,38,44)(H,39,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081783
(CHEMBL420447 | N-sec-Butyl-2-[1-butyl-3-(4-phenoxy...)Show SMILES CCCCN(CC(=O)N(CC(=O)NO)C(C)CC)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H34N4O5/c1-4-6-16-28(18-24(31)29(19(3)5-2)17-23(30)27-33)25(32)26-20-12-14-22(15-13-20)34-21-10-8-7-9-11-21/h7-15,19,33H,4-6,16-18H2,1-3H3,(H,26,32)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081797
(CHEMBL94873 | N-Heptyl-N-hydroxycarbamoylmethyl-2-...)Show SMILES CCCCCCCN(CC(=O)NO)C(=O)CN(CCCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H42N4O5/c1-3-5-7-8-13-20-32(22-27(34)31-37)28(35)23-33(21-12-6-4-2)29(36)30-24-16-18-26(19-17-24)38-25-14-10-9-11-15-25/h9-11,14-19,37H,3-8,12-13,20-23H2,1-2H3,(H,30,36)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081796
(CHEMBL97408 | N-Hydroxycarbamoylmethyl-2-[3-(4-phe...)Show SMILES ONC(=O)CN(C1CCCc2ccccc12)C(=O)CN(C1CCCc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C37H38N4O5/c42-35(39-45)24-40(33-18-8-12-26-10-4-6-16-31(26)33)36(43)25-41(34-19-9-13-27-11-5-7-17-32(27)34)37(44)38-28-20-22-30(23-21-28)46-29-14-2-1-3-15-29/h1-7,10-11,14-17,20-23,33-34,45H,8-9,12-13,18-19,24-25H2,(H,38,44)(H,39,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081786
(2-[1-sec-Butyl-3-(4-phenoxy-phenyl)-ureido]-N-hydr...)Show SMILES CCC(C)N(CC(=O)N(CC(=O)NO)C(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H32N4O5/c1-5-18(4)28(16-23(30)27(17(2)3)15-22(29)26-32)24(31)25-19-11-13-21(14-12-19)33-20-9-7-6-8-10-20/h6-14,17-18,32H,5,15-16H2,1-4H3,(H,25,31)(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081793
(2-[1-[2-(4-Fluoro-phenyl)-ethyl]-3-(4-phenoxy-phen...)Show SMILES CC(C)N(CC(=O)NO)C(=O)CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H31FN4O5/c1-20(2)33(18-26(34)31-37)27(35)19-32(17-16-21-8-10-22(29)11-9-21)28(36)30-23-12-14-25(15-13-23)38-24-6-4-3-5-7-24/h3-15,20,37H,16-19H2,1-2H3,(H,30,36)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081775
(CHEMBL328477 | N-Hydroxycarbamoylmethyl-N-pentyl-2...)Show SMILES CCCCCN(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H38N4O5/c1-2-3-10-21-34(23-29(36)33-39)30(37)24-35(22-11-14-25-12-6-4-7-13-25)31(38)32-26-17-19-28(20-18-26)40-27-15-8-5-9-16-27/h4-9,12-13,15-20,39H,2-3,10-11,14,21-24H2,1H3,(H,32,38)(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081782
(2-(1-Benzyl-3-naphthalen-1-yl-ureido)-N-sec-butyl-...)Show SMILES CCC(C)N(CC(=O)NO)C(=O)CN(Cc1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C26H30N4O4/c1-3-19(2)30(17-24(31)28-34)25(32)18-29(16-20-10-5-4-6-11-20)26(33)27-23-15-9-13-21-12-7-8-14-22(21)23/h4-15,19,34H,3,16-18H2,1-2H3,(H,27,33)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081792
(CHEMBL320908 | N-[2-(4-Fluoro-phenyl)-ethyl]-2-[1-...)Show SMILES CCCCCCCN(CC(=O)N(CCc1ccc(F)cc1)CC(=O)NO)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C32H39FN4O5/c1-2-3-4-5-9-21-37(32(40)34-27-16-18-29(19-17-27)42-28-10-7-6-8-11-28)24-31(39)36(23-30(38)35-41)22-20-25-12-14-26(33)15-13-25/h6-8,10-19,41H,2-5,9,20-24H2,1H3,(H,34,40)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081776
(CHEMBL98186 | N-Hydroxycarbamoylmethyl-N-(1-methyl...)Show SMILES CCCC(C)N(CC(=O)NO)C(=O)CN(C1CCCc2ccccc12)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C30H36N4O4/c1-3-9-21(2)33(19-28(35)32-38)29(36)20-34(27-15-8-13-23-11-6-7-14-26(23)27)30(37)31-25-17-16-22-10-4-5-12-24(22)18-25/h4-7,10-12,14,16-18,21,27,38H,3,8-9,13,15,19-20H2,1-2H3,(H,31,37)(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081798
(CHEMBL418779 | N-Benzyl-2-[1-cyclohexylmethyl-3-(4...)Show SMILES ONC(=O)CN(Cc1ccccc1)C(=O)CN(CC1CCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H36N4O5/c36-29(33-39)22-34(20-24-10-4-1-5-11-24)30(37)23-35(21-25-12-6-2-7-13-25)31(38)32-26-16-18-28(19-17-26)40-27-14-8-3-9-15-27/h1,3-5,8-11,14-19,25,39H,2,6-7,12-13,20-23H2,(H,32,38)(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081769
(CHEMBL97293 | N-tert-Butyl-N-hydroxycarbamoylmethy...)Show SMILES CSc1ccccc1NC(=O)N(CCCc1ccccc1)CC(=O)N(CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H34N4O4S/c1-25(2,3)29(17-22(30)27-33)23(31)18-28(16-10-13-19-11-6-5-7-12-19)24(32)26-20-14-8-9-15-21(20)34-4/h5-9,11-12,14-15,33H,10,13,16-18H2,1-4H3,(H,26,32)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081800
(2-[1-tert-Butyl-3-(4-phenoxy-phenyl)-ureido]-N-cyc...)Show SMILES CC(C)(C)N(CC(=O)N(CC1CCCCC1)CC(=O)NO)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H38N4O5/c1-28(2,3)32(20-26(34)31(19-25(33)30-36)18-21-10-6-4-7-11-21)27(35)29-22-14-16-24(17-15-22)37-23-12-8-5-9-13-23/h5,8-9,12-17,21,36H,4,6-7,10-11,18-20H2,1-3H3,(H,29,35)(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081794
(CHEMBL321088 | N-Heptyl-N-hydroxycarbamoylmethyl-2...)Show SMILES CCCCCCCN(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C33H42N4O5/c1-2-3-4-5-12-23-36(25-31(38)35-41)32(39)26-37(24-13-16-27-14-8-6-9-15-27)33(40)34-28-19-21-30(22-20-28)42-29-17-10-7-11-18-29/h6-11,14-15,17-22,41H,2-5,12-13,16,23-26H2,1H3,(H,34,40)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081772
(CHEMBL94796 | N-tert-Butyl-N-hydroxycarbamoylmethy...)Show SMILES CC(C)N(CC(=O)N(CC(=O)NO)C(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H32N4O5/c1-17(2)27(16-22(30)28(24(3,4)5)15-21(29)26-32)23(31)25-18-11-13-20(14-12-18)33-19-9-7-6-8-10-19/h6-14,17,32H,15-16H2,1-5H3,(H,25,31)(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081773
(CHEMBL94268 | N-Hydroxycarbamoylmethyl-2-[1-(1-met...)Show SMILES CCCCCN(CC(=O)NO)C(=O)CN(C(C)CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H38N4O5/c1-4-6-10-18-30(19-25(32)29-35)26(33)20-31(21(3)11-5-2)27(34)28-22-14-16-24(17-15-22)36-23-12-8-7-9-13-23/h7-9,12-17,21,35H,4-6,10-11,18-20H2,1-3H3,(H,28,34)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081779
(CHEMBL318122 | N-Benzhydryl-N-hydroxycarbamoylmeth...)Show SMILES ONC(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C39H38N4O5/c44-36(41-47)28-43(38(31-17-7-2-8-18-31)32-19-9-3-10-20-32)37(45)29-42(27-13-16-30-14-5-1-6-15-30)39(46)40-33-23-25-35(26-24-33)48-34-21-11-4-12-22-34/h1-12,14-15,17-26,38,47H,13,16,27-29H2,(H,40,46)(H,41,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081774
(CHEMBL328607 | N-Butyl-N-hydroxycarbamoylmethyl-2-...)Show SMILES CCCCN(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H36N4O5/c1-2-3-20-33(22-28(35)32-38)29(36)23-34(21-10-13-24-11-6-4-7-12-24)30(37)31-25-16-18-27(19-17-25)39-26-14-8-5-9-15-26/h4-9,11-12,14-19,38H,2-3,10,13,20-23H2,1H3,(H,31,37)(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081795
(CHEMBL93768 | N-sec-Butyl-N-hydroxycarbamoylmethyl...)Show SMILES CCC(C)N(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H36N4O5/c1-3-23(2)34(21-28(35)32-38)29(36)22-33(20-10-13-24-11-6-4-7-12-24)30(37)31-25-16-18-27(19-17-25)39-26-14-8-5-9-15-26/h4-9,11-12,14-19,23,38H,3,10,13,20-22H2,1-2H3,(H,31,37)(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081787
(CHEMBL97552 | N-Hydroxycarbamoylmethyl-N-isopropyl...)Show SMILES CC(C)N(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H34N4O5/c1-22(2)33(20-27(34)31-37)28(35)21-32(19-9-12-23-10-5-3-6-11-23)29(36)30-24-15-17-26(18-16-24)38-25-13-7-4-8-14-25/h3-8,10-11,13-18,22,37H,9,12,19-21H2,1-2H3,(H,30,36)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081777
(CHEMBL96447 | N-Butyl-2-[1-cyclohexylmethyl-3-(2-m...)Show SMILES CCCCN(CC(=O)NO)C(=O)CN(CC1CCCCC1)C(=O)Nc1ccc(cc1C)[N+]([O-])=O Show InChI InChI=1S/C23H35N5O6/c1-3-4-12-26(15-21(29)25-32)22(30)16-27(14-18-8-6-5-7-9-18)23(31)24-20-11-10-19(28(33)34)13-17(20)2/h10-11,13,18,32H,3-9,12,14-16H2,1-2H3,(H,24,31)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081784
(CHEMBL262693 | N-Hydroxycarbamoylmethyl-2-[3-(4-ph...)Show SMILES ONC(=O)CN(C1CCCc2ccccc12)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C36H38N4O5/c41-34(38-44)25-40(33-19-9-15-28-14-7-8-18-32(28)33)35(42)26-39(24-10-13-27-11-3-1-4-12-27)36(43)37-29-20-22-31(23-21-29)45-30-16-5-2-6-17-30/h1-8,11-12,14,16-18,20-23,33,44H,9-10,13,15,19,24-26H2,(H,37,43)(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081770
(CHEMBL96443 | N-Cyclohexylmethyl-N-hydroxycarbamoy...)Show SMILES ONC(=O)CN(CC1CCCCC1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C33H40N4O5/c38-31(35-41)24-37(23-27-13-6-2-7-14-27)32(39)25-36(22-10-15-26-11-4-1-5-12-26)33(40)34-28-18-20-30(21-19-28)42-29-16-8-3-9-17-29/h1,3-5,8-9,11-12,16-21,27,41H,2,6-7,10,13-15,22-25H2,(H,34,40)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081789
(2-[3-(5-Chloro-2-methoxy-phenyl)-1-(4-phenyl-butyl...)Show SMILES CCCCCN(CC(=O)NO)C(=O)CN(CCCCc1ccccc1)C(=O)Nc1cc(Cl)ccc1OC Show InChI InChI=1S/C27H37ClN4O5/c1-3-4-9-16-31(19-25(33)30-36)26(34)20-32(17-10-8-13-21-11-6-5-7-12-21)27(35)29-23-18-22(28)14-15-24(23)37-2/h5-7,11-12,14-15,18,36H,3-4,8-10,13,16-17,19-20H2,1-2H3,(H,29,35)(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081791
(2-[1-Benzhydryl-3-(4-butoxy-phenyl)-ureido]-N-hept...)Show SMILES CCCCCCCN(CC(=O)NO)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OCCCC)cc1 Show InChI InChI=1S/C35H46N4O5/c1-3-5-7-8-15-24-38(26-32(40)37-43)33(41)27-39(34(28-16-11-9-12-17-28)29-18-13-10-14-19-29)35(42)36-30-20-22-31(23-21-30)44-25-6-4-2/h9-14,16-23,34,43H,3-8,15,24-27H2,1-2H3,(H,36,42)(H,37,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50081781
(CHEMBL95679 | N-tert-Butyl-N-hydroxycarbamoylmethy...)Show SMILES CC(C)(C)N(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)34(21-27(35)32-38)28(36)22-33(20-10-13-23-11-6-4-7-12-23)29(37)31-24-16-18-26(19-17-24)39-25-14-8-5-9-15-25/h4-9,11-12,14-19,38H,10,13,20-22H2,1-3H3,(H,31,37)(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2). |
Bioorg Med Chem Lett 9: 2823-6 (1999)
BindingDB Entry DOI: 10.7270/Q2PG1QXT |
More data for this
Ligand-Target Pair | |
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