BDBM50297237 (S)-2-(4'-(4-(3-hydroxypropyl)-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid::CHEMBL552213
SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(CCCO)c3c2C)cc1)C(O)=O
InChI Key: InChIKey=QXMXXJUEHWZLCA-MHZLTWQESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297237 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)) | BDBM50297237
![PNG](/data/jpeg/tenK5029/BindingDB_50297237.png) ((S)-2-(4'-(4-(3-hydroxypropyl)-3-methylbenzofuran-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(CCCO)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C30H32N2O7S/c1-18(2)27(30(35)36)32-40(37,38)24-15-11-21(12-16-24)20-9-13-23(14-10-20)31-29(34)28-19(3)26-22(7-5-17-33)6-4-8-25(26)39-28/h4,6,8-16,18,27,32-33H,5,7,17H2,1-3H3,(H,31,34)(H,35,36)/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 | 4.41E+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)) | BDBM50297237
![PNG](/data/jpeg/tenK5029/BindingDB_50297237.png) ((S)-2-(4'-(4-(3-hydroxypropyl)-3-methylbenzofuran-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(CCCO)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C30H32N2O7S/c1-18(2)27(30(35)36)32-40(37,38)24-15-11-21(12-16-24)20-9-13-23(14-10-20)31-29(34)28-19(3)26-22(7-5-17-33)6-4-8-25(26)39-28/h4,6,8-16,18,27,32-33H,5,7,17H2,1-3H3,(H,31,34)(H,35,36)/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 | 7.10 | 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 | |