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

Data: 1 KI  8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 40467   

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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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...) Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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