BDBM13139 (2S)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide::BMCL16311 Compound 1b::CGS 27023A Analog 71
SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@@H](C(C)C)C(=O)NO
InChI Key: InChIKey=BSIZUMJRKYHEBR-KRWDZBQOSA-N
PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Stromelysin-1 (Homo sapiens (Human)) | BDBM13139 ((2S)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals | Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ... | J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human)) | BDBM13139 ((2S)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 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 |