BDBM30369 piperidinyl glycine derivative, 24f
SMILES: CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O
InChI Key: InChIKey=GYETWAWIKBOMPE-OAQYLSRUSA-N
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)) | BDBM30369 (piperidinyl glycine derivative, 24f) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.190 | -13.1 | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Novartis | Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM30369 (piperidinyl glycine derivative, 24f) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | 25 |
Novartis | Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM30369 (piperidinyl glycine derivative, 24f) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | 25 |
Novartis | Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM30369 (piperidinyl glycine derivative, 24f) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
Novartis | Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta... | J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3 | |||||||||||
More data for this Ligand-Target Pair |