Found 3 hits for monomerid = 50320445 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)) | BDBM50320445
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C33H47N5O6S/c1-25-5-4-6-30(26(25)2)37-19-21-38(22-20-37)31(39)27-11-15-36(16-12-27)28-7-9-29(10-8-28)45(42,43)33(32(40)34-41)13-17-35(18-14-33)23-24-44-3/h4-10,27,41H,11-24H2,1-3H3,(H,34,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50320445
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C33H47N5O6S/c1-25-5-4-6-30(26(25)2)37-19-21-38(22-20-37)31(39)27-11-15-36(16-12-27)28-7-9-29(10-8-28)45(42,43)33(32(40)34-41)13-17-35(18-14-33)23-24-44-3/h4-10,27,41H,11-24H2,1-3H3,(H,34,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description Inhibition of MMP1 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320445
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C33H47N5O6S/c1-25-5-4-6-30(26(25)2)37-19-21-38(22-20-37)31(39)27-11-15-36(16-12-27)28-7-9-29(10-8-28)45(42,43)33(32(40)34-41)13-17-35(18-14-33)23-24-44-3/h4-10,27,41H,11-24H2,1-3H3,(H,34,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this Ligand-Target Pair | |