BDBM11871 1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phenoxyphenyl)sulfonyl]piperidine-1-carboxylate::alpha-sulfone 27a::tert-butyl 4-(hydroxycarbamoyl)-4-[(4-phenoxybenzene)sulfonyl]piperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChI Key: InChIKey=FAOIZSVKMZLOCI-UHFFFAOYSA-N
Data: 3 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)) | BDBM11871 (1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | 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)) | BDBM11871 (1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | 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)) | BDBM11871 (1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.14E+3 | -8.10 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 |