BDBM50297244 (S)-2-(4-(5-(4-cyanobenzofuran-2-carboxamido)pyridin-2-yl)phenylsulfonamido)-3-methylbutanoic acid::CHEMBL559805
SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(cccc3o2)C#N)cn1)C(O)=O
InChI Key: InChIKey=XDMVXFHJJTUNSB-DEOSSOPVSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297244 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)) | BDBM50297244
((S)-2-(4-(5-(4-cyanobenzofuran-2-carboxamido)pyrid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(cccc3o2)C#N)cn1)C(O)=O |r| Show InChI InChI=1S/C26H22N4O6S/c1-15(2)24(26(32)33)30-37(34,35)19-9-6-16(7-10-19)21-11-8-18(14-28-21)29-25(31)23-12-20-17(13-27)4-3-5-22(20)36-23/h3-12,14-15,24,30H,1-2H3,(H,29,31)(H,32,33)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.84E+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)) | BDBM50297244
((S)-2-(4-(5-(4-cyanobenzofuran-2-carboxamido)pyrid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(cccc3o2)C#N)cn1)C(O)=O |r| Show InChI InChI=1S/C26H22N4O6S/c1-15(2)24(26(32)33)30-37(34,35)19-9-6-16(7-10-19)21-11-8-18(14-28-21)29-25(31)23-12-20-17(13-27)4-3-5-22(20)36-23/h3-12,14-15,24,30H,1-2H3,(H,29,31)(H,32,33)/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | 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 | |