BDBM50297242 (S)-3-methyl-2-(4'-(3-methyl-4-phenylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)butanoic acid::CHEMBL541703
SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccccc4)c3c2C)cc1)C(O)=O
InChI Key: InChIKey=JENVXNLJMJTTNA-PMERELPUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297242 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)) | BDBM50297242
((S)-3-methyl-2-(4'-(3-methyl-4-phenylbenzofuran-2-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccccc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C33H30N2O6S/c1-20(2)30(33(37)38)35-42(39,40)26-18-14-23(15-19-26)22-12-16-25(17-13-22)34-32(36)31-21(3)29-27(10-7-11-28(29)41-31)24-8-5-4-6-9-24/h4-20,30,35H,1-3H3,(H,34,36)(H,37,38)/t30-/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 | 3.65E+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)) | BDBM50297242
((S)-3-methyl-2-(4'-(3-methyl-4-phenylbenzofuran-2-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccccc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C33H30N2O6S/c1-20(2)30(33(37)38)35-42(39,40)26-18-14-23(15-19-26)22-12-16-25(17-13-22)34-32(36)31-21(3)29-27(10-7-11-28(29)41-31)24-8-5-4-6-9-24/h4-20,30,35H,1-3H3,(H,34,36)(H,37,38)/t30-/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 | 15 | 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 | |