BDBM50374496 CHEMBL539930

SMILES: On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O

InChI Key: InChIKey=LNJYGNLGJFKFCM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50374496   

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))	BDBM50374496 (CHEMBL539930) Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 409-13 (2008) Article DOI: 10.1016/j.bmcl.2007.10.045 BindingDB Entry DOI: 10.7270/Q2833SWF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50374496 (CHEMBL539930) Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 18: 409-13 (2008) Article DOI: 10.1016/j.bmcl.2007.10.045 BindingDB Entry DOI: 10.7270/Q2833SWF
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50374496 (CHEMBL539930) Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 18: 409-13 (2008) Article DOI: 10.1016/j.bmcl.2007.10.045 BindingDB Entry DOI: 10.7270/Q2833SWF
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50374496 (CHEMBL539930) Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 18: 409-13 (2008) Article DOI: 10.1016/j.bmcl.2007.10.045 BindingDB Entry DOI: 10.7270/Q2833SWF
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50374496 (CHEMBL539930) Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2	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	62.9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 18: 409-13 (2008) Article DOI: 10.1016/j.bmcl.2007.10.045 BindingDB Entry DOI: 10.7270/Q2833SWF
					More data for this Ligand-Target Pair