BDBM11880 N-Hydroxy-1-methyl-4-{[4-(phenylthio)phenyl]sulfonyl}-piperidine-4-carboxamide Hydrochloride::N-hydroxy-1-methyl-4-{[4-(phenylsulfanyl)benzene]sulfonyl}piperidine-4-carboxamide hydrochloride::alpha-sulfone 35a
SMILES: CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
InChI Key: InChIKey=NKHJMAWHLPBSOA-UHFFFAOYSA-N
Data: 6 KI
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)) | BDBM11880 (N-Hydroxy-1-methyl-4-{[4-(phenylthio)phenyl]sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ... | J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM11880 (N-Hydroxy-1-methyl-4-{[4-(phenylthio)phenyl]sulfon...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ... | J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM11880 (N-Hydroxy-1-methyl-4-{[4-(phenylthio)phenyl]sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ... | J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM11880 (N-Hydroxy-1-methyl-4-{[4-(phenylthio)phenyl]sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 11.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ... | J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM11880 (N-Hydroxy-1-methyl-4-{[4-(phenylthio)phenyl]sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 39.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ... | J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM11880 (N-Hydroxy-1-methyl-4-{[4-(phenylthio)phenyl]sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ... | J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ | |||||||||||
More data for this Ligand-Target Pair |