Found 7 hits for monomerid = 50101496 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50101496
((R)-3-(((S)-3-cyclohexyl-1-(3-methoxy-3-oxopropyla...)Show SMILES COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(O)=O Show InChI InChI=1S/C27H40N2O6/c1-19-11-13-20(14-12-19)9-6-10-22(18-24(30)31)26(33)29-23(17-21-7-4-3-5-8-21)27(34)28-16-15-25(32)35-2/h11-14,21-23H,3-10,15-18H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101496
((R)-3-(((S)-3-cyclohexyl-1-(3-methoxy-3-oxopropyla...)Show SMILES COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(O)=O Show InChI InChI=1S/C27H40N2O6/c1-19-11-13-20(14-12-19)9-6-10-22(18-24(30)31)26(33)29-23(17-21-7-4-3-5-8-21)27(34)28-16-15-25(32)35-2/h11-14,21-23H,3-10,15-18H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of the Gelatinase-A enzyme was determined from purified NSO cells. |
Bioorg Med Chem Lett 4: 2747-2752 (1994)
Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50101496
((R)-3-(((S)-3-cyclohexyl-1-(3-methoxy-3-oxopropyla...)Show SMILES COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(O)=O Show InChI InChI=1S/C27H40N2O6/c1-19-11-13-20(14-12-19)9-6-10-22(18-24(30)31)26(33)29-23(17-21-7-4-3-5-8-21)27(34)28-16-15-25(32)35-2/h11-14,21-23H,3-10,15-18H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 353 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibitory constant against matrix metalloproteinase-3 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50101496
((R)-3-(((S)-3-cyclohexyl-1-(3-methoxy-3-oxopropyla...)Show SMILES COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(O)=O Show InChI InChI=1S/C27H40N2O6/c1-19-11-13-20(14-12-19)9-6-10-22(18-24(30)31)26(33)29-23(17-21-7-4-3-5-8-21)27(34)28-16-15-25(32)35-2/h11-14,21-23H,3-10,15-18H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 353 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of the Stromelysin enzyme was determined from purified NSO cells. |
Bioorg Med Chem Lett 4: 2747-2752 (1994)
Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50101496
((R)-3-(((S)-3-cyclohexyl-1-(3-methoxy-3-oxopropyla...)Show SMILES COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(O)=O Show InChI InChI=1S/C27H40N2O6/c1-19-11-13-20(14-12-19)9-6-10-22(18-24(30)31)26(33)29-23(17-21-7-4-3-5-8-21)27(34)28-16-15-25(32)35-2/h11-14,21-23H,3-10,15-18H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibitory constant against matrix metalloproteinase-1 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50101496
((R)-3-(((S)-3-cyclohexyl-1-(3-methoxy-3-oxopropyla...)Show SMILES COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(O)=O Show InChI InChI=1S/C27H40N2O6/c1-19-11-13-20(14-12-19)9-6-10-22(18-24(30)31)26(33)29-23(17-21-7-4-3-5-8-21)27(34)28-16-15-25(32)35-2/h11-14,21-23H,3-10,15-18H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 4.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of the Collagenase enzyme was determined from purified NSO cells. |
Bioorg Med Chem Lett 4: 2747-2752 (1994)
Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50101496
((R)-3-(((S)-3-cyclohexyl-1-(3-methoxy-3-oxopropyla...)Show SMILES COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(O)=O Show InChI InChI=1S/C27H40N2O6/c1-19-11-13-20(14-12-19)9-6-10-22(18-24(30)31)26(33)29-23(17-21-7-4-3-5-8-21)27(34)28-16-15-25(32)35-2/h11-14,21-23H,3-10,15-18H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP1 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |