BDBM50297247 (2S,3R)-3-hydroxy-2-(4-(5-(4-(methylsulfonamido)benzofuran-2-carboxamido)pyridin-2-yl)phenylsulfonamido)butanoic acid::CHEMBL562338
SMILES: CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O
InChI Key: InChIKey=SBXVFSKKCXNEDY-AQJFCTLQSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297247 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)) | BDBM50297247
![PNG](/data/jpeg/tenK5029/BindingDB_50297247.png) ((2S,3R)-3-hydroxy-2-(4-(5-(4-(methylsulfonamido)be...)Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C25H24N4O9S2/c1-14(30)23(25(32)33)29-40(36,37)17-9-6-15(7-10-17)19-11-8-16(13-26-19)27-24(31)22-12-18-20(28-39(2,34)35)4-3-5-21(18)38-22/h3-14,23,28-30H,1-2H3,(H,27,31)(H,32,33)/t14?,23-/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
Similars
| Article PubMed
| n/a | n/a | 8.99E+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)) | BDBM50297247
![PNG](/data/jpeg/tenK5029/BindingDB_50297247.png) ((2S,3R)-3-hydroxy-2-(4-(5-(4-(methylsulfonamido)be...)Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C25H24N4O9S2/c1-14(30)23(25(32)33)29-40(36,37)17-9-6-15(7-10-17)19-11-8-16(13-26-19)27-24(31)22-12-18-20(28-39(2,34)35)4-3-5-21(18)38-22/h3-14,23,28-30H,1-2H3,(H,27,31)(H,32,33)/t14?,23-/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
Similars
| Article PubMed
| n/a | n/a | 35 | 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 | |