BDBM50297243 (S)-2-(4'-(4-(furan-3-yl)-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid::CHEMBL541218
SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccoc4)c3c2C)cc1)C(O)=O
InChI Key: InChIKey=FECFHXJGVVXRMZ-NDEPHWFRSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297243 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)) | BDBM50297243
((S)-2-(4'-(4-(furan-3-yl)-3-methylbenzofuran-2-car...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccoc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28N2O7S/c1-18(2)28(31(35)36)33-41(37,38)24-13-9-21(10-14-24)20-7-11-23(12-8-20)32-30(34)29-19(3)27-25(22-15-16-39-17-22)5-4-6-26(27)40-29/h4-18,28,33H,1-3H3,(H,32,34)(H,35,36)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.06E+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)) | BDBM50297243
((S)-2-(4'-(4-(furan-3-yl)-3-methylbenzofuran-2-car...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccoc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28N2O7S/c1-18(2)28(31(35)36)33-41(37,38)24-13-9-21(10-14-24)20-7-11-23(12-8-20)32-30(34)29-19(3)27-25(22-15-16-39-17-22)5-4-6-26(27)40-29/h4-18,28,33H,1-3H3,(H,32,34)(H,35,36)/t28-/m0/s1 | 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 | 6.40 | 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 | |