BDBM50297238 (S)-2-(4'-(4-(3-methoxypropyl)-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid::CHEMBL559413
SMILES: COCCCc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
InChI Key: InChIKey=HESIRWKKCVPIEN-NDEPHWFRSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297238 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)) | BDBM50297238
![PNG](/data/jpeg/tenK5029/BindingDB_50297238.png) ((S)-2-(4'-(4-(3-methoxypropyl)-3-methylbenzofuran-...)Show SMILES COCCCc1cccc2oc(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/C31H34N2O7S/c1-19(2)28(31(35)36)33-41(37,38)25-16-12-22(13-17-25)21-10-14-24(15-11-21)32-30(34)29-20(3)27-23(8-6-18-39-4)7-5-9-26(27)40-29/h5,7,9-17,19,28,33H,6,8,18H2,1-4H3,(H,32,34)(H,35,36)/t28-/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 | 4.00E+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)) | BDBM50297238
![PNG](/data/jpeg/tenK5029/BindingDB_50297238.png) ((S)-2-(4'-(4-(3-methoxypropyl)-3-methylbenzofuran-...)Show SMILES COCCCc1cccc2oc(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/C31H34N2O7S/c1-19(2)28(31(35)36)33-41(37,38)25-16-12-22(13-17-25)21-10-14-24(15-11-21)32-30(34)29-20(3)27-23(8-6-18-39-4)7-5-9-26(27)40-29/h5,7,9-17,19,28,33H,6,8,18H2,1-4H3,(H,32,34)(H,35,36)/t28-/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 | 11 | 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 | |