null
SMILES: CN(C)CCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
InChI Key: InChIKey=NJSDEGWKISRFRU-UHFFFAOYSA-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)) | BDBM50320432 (4-(4-(4-(4-(2-(dimethylamino)ethyl)piperazine-1-ca...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development Curated by ChEMBL | Assay Description Inhibition of MMP13 | Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50320432 (4-(4-(4-(4-(2-(dimethylamino)ethyl)piperazine-1-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development Curated by ChEMBL | Assay Description Inhibition of MMP2 | Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 | |||||||||||
More data for this Ligand-Target Pair |