BDBM50356217 CHEMBL1910475
SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(C)c2cccc(c2)C(F)(F)F)cc1)C(O)=O
InChI Key: InChIKey=HDZRQSNVDCCUNF-FZYLFJGDSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50356217 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356217
(CHEMBL1910475)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(C)c2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H26F3NO5S/c1-16(2)24(25(31)32)30-36(33,34)23-13-9-19(10-14-23)18-7-11-22(12-8-18)35-17(3)20-5-4-6-21(15-20)26(27,28)29/h4-17,24,30H,1-3H3,(H,31,32)/t17?,24-/m1/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM50356217
(CHEMBL1910475)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(C)c2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H26F3NO5S/c1-16(2)24(25(31)32)30-36(33,34)23-13-9-19(10-14-23)18-7-11-22(12-8-18)35-17(3)20-5-4-6-21(15-20)26(27,28)29/h4-17,24,30H,1-3H3,(H,31,32)/t17?,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase-1 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |