BDBM50297227 (S)-2-(4'-(4-(1-methoxy-2-methyl-1-oxopropan-2-yloxy)-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid::CHEMBL541447
SMILES: COC(=O)C(C)(C)Oc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
InChI Key: InChIKey=DMMXGBRKSOTFSC-MHZLTWQESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297227 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)) | BDBM50297227
![PNG](/data/jpeg/tenK5029/BindingDB_50297227.png) ((S)-2-(4'-(4-(1-methoxy-2-methyl-1-oxopropan-2-ylo...)Show SMILES COC(=O)C(C)(C)Oc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C32H34N2O9S/c1-18(2)27(30(36)37)34-44(39,40)23-16-12-21(13-17-23)20-10-14-22(15-11-20)33-29(35)28-19(3)26-24(42-28)8-7-9-25(26)43-32(4,5)31(38)41-6/h7-18,27,34H,1-6H3,(H,33,35)(H,36,37)/t27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297227
![PNG](/data/jpeg/tenK5029/BindingDB_50297227.png) ((S)-2-(4'-(4-(1-methoxy-2-methyl-1-oxopropan-2-ylo...)Show SMILES COC(=O)C(C)(C)Oc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C32H34N2O9S/c1-18(2)27(30(36)37)34-44(39,40)23-16-12-21(13-17-23)20-10-14-22(15-11-20)33-29(35)28-19(3)26-24(42-28)8-7-9-25(26)43-32(4,5)31(38)41-6/h7-18,27,34H,1-6H3,(H,33,35)(H,36,37)/t27-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this Ligand-Target Pair | |