BDBM40467 2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one::2-[(4-chlorobenzyl)thio]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one::2-[(4-chlorophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one::2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one::CHEMBL473326::MLS000062185::SMR000070991::cid_2047223
SMILES: Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
InChI Key: InChIKey=HKDAECHYHSQLRG-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)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida Curated by ChEMBL | Assay Description Noncompetitive inhibition of human full length recombinant MMP13 using triple-helical fTHP-15 as substrate by Lineweaver-Burk plot analysis | Bioorg Med Chem Lett 21: 7180-4 (2011) Article DOI: 10.1016/j.bmcl.2011.09.077 BindingDB Entry DOI: 10.7270/Q27D2VKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP13 by fluorogenic substrate assay | Bioorg Med Chem 17: 1101-8 (2009) Article DOI: 10.1016/j.bmc.2008.03.018 BindingDB Entry DOI: 10.7270/Q2XS5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP9 by fluorogenic substrate assay | Bioorg Med Chem 17: 1101-8 (2009) Article DOI: 10.1016/j.bmc.2008.03.018 BindingDB Entry DOI: 10.7270/Q2XS5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP8 by fluorogenic substrate assay | Bioorg Med Chem 17: 1101-8 (2009) Article DOI: 10.1016/j.bmc.2008.03.018 BindingDB Entry DOI: 10.7270/Q2XS5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli | Bioorg Med Chem 17: 990-1005 (2009) Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida Curated by ChEMBL | Assay Description Inhibition of MMP1 expressed in Escherichia coli using triple-helical fTHP-15 as substrate after 4 hrs by FRET assay | Bioorg Med Chem Lett 21: 7180-4 (2011) Article DOI: 10.1016/j.bmcl.2011.09.077 BindingDB Entry DOI: 10.7270/Q27D2VKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida Curated by ChEMBL | Assay Description Inhibition of MMP8 expressed in CHO-K1 cells using triple-helical fTHP-15 as substrate after 4 hrs by FRET assay | Bioorg Med Chem Lett 21: 7180-4 (2011) Article DOI: 10.1016/j.bmcl.2011.09.077 BindingDB Entry DOI: 10.7270/Q27D2VKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2JW8C95 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM40467 (2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP13 by fluorogenic substrate assay | Bioorg Med Chem 17: 1101-8 (2009) Article DOI: 10.1016/j.bmc.2008.03.018 BindingDB Entry DOI: 10.7270/Q2XS5V5D | |||||||||||
More data for this Ligand-Target Pair |