BDBM24040 (2R)-2-({4-[4-(1-benzofuran-2-ylcarbonyloxy)phenyl]benzene}sulfonamido)-3-methylbutanoic acid::CHEMBL200221::biphenylsulfonamide carboxylate, 17
SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O
InChI Key: InChIKey=IAWHNWKBSDNIHH-XMMPIXPASA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 24040 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 |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM24040
![PNG](/data/jpeg/tenK2/BindingDB_24040.png) ((2R)-2-({4-[4-(1-benzofuran-2-ylcarbonyloxy)phenyl...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H23NO7S/c1-16(2)24(25(28)29)27-35(31,32)21-13-9-18(10-14-21)17-7-11-20(12-8-17)33-26(30)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,27H,1-2H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM24040
![PNG](/data/jpeg/tenK2/BindingDB_24040.png) ((2R)-2-({4-[4-(1-benzofuran-2-ylcarbonyloxy)phenyl...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H23NO7S/c1-16(2)24(25(28)29)27-35(31,32)21-13-9-18(10-14-21)17-7-11-20(12-8-17)33-26(30)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,27H,1-2H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth Research
| Assay Description The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of... |
Bioorg Med Chem Lett 16: 311-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.001 BindingDB Entry DOI: 10.7270/Q2CJ8BS1 |
More data for this Ligand-Target Pair | |