null

SMILES: CS(=O)(=O)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]3(O)CN4CCC3CC4)cc2)c1

InChI Key: InChIKey=IFVVAVDCKGJFSK-PMERELPUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50026720   

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))	BDBM50026720 (CHEMBL1940284) Show SMILES CS(=O)(=O)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]3(O)CN4CCC3CC4)cc2)c1 |r,wU:27.28,(15.25,-48.32,;16.59,-49.1,;17.36,-50.44,;15.82,-50.43,;17.94,-48.32,;17.94,-46.77,;16.6,-46,;16.6,-44.45,;17.94,-43.69,;19.28,-44.46,;20.62,-43.7,;21.95,-44.47,;23.29,-43.71,;23.29,-42.17,;24.62,-44.48,;25.96,-43.72,;27.29,-44.5,;27.28,-46.04,;28.61,-46.81,;29.95,-46.05,;29.96,-44.51,;31.29,-43.75,;32.62,-44.53,;32.61,-46.06,;31.28,-46.83,;33.96,-43.77,;35.3,-43.01,;36.61,-42.23,;36.59,-43.75,;36.58,-40.7,;37.9,-39.92,;40.02,-40.35,;40.05,-42.52,;37.93,-42.97,;39.22,-42.19,;39.2,-40.68,;25.95,-46.8,;24.62,-46.03,;19.27,-46,)| Show InChI InChI=1S/C30H30N2O6S/c1-39(35,36)38-28-4-2-3-23(19-28)20-31-29(33)24-7-11-27(12-8-24)37-26-9-5-22(6-10-26)13-16-30(34)21-32-17-14-25(30)15-18-32/h2-12,19,25,34H,14-15,17-18,20-21H2,1H3,(H,31,33)/t30-/m0/s1	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	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50026720 (CHEMBL1940284) Show SMILES CS(=O)(=O)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]3(O)CN4CCC3CC4)cc2)c1 |r,wU:27.28,(15.25,-48.32,;16.59,-49.1,;17.36,-50.44,;15.82,-50.43,;17.94,-48.32,;17.94,-46.77,;16.6,-46,;16.6,-44.45,;17.94,-43.69,;19.28,-44.46,;20.62,-43.7,;21.95,-44.47,;23.29,-43.71,;23.29,-42.17,;24.62,-44.48,;25.96,-43.72,;27.29,-44.5,;27.28,-46.04,;28.61,-46.81,;29.95,-46.05,;29.96,-44.51,;31.29,-43.75,;32.62,-44.53,;32.61,-46.06,;31.28,-46.83,;33.96,-43.77,;35.3,-43.01,;36.61,-42.23,;36.59,-43.75,;36.58,-40.7,;37.9,-39.92,;40.02,-40.35,;40.05,-42.52,;37.93,-42.97,;39.22,-42.19,;39.2,-40.68,;25.95,-46.8,;24.62,-46.03,;19.27,-46,)| Show InChI InChI=1S/C30H30N2O6S/c1-39(35,36)38-28-4-2-3-23(19-28)20-31-29(33)24-7-11-27(12-8-24)37-26-9-5-22(6-10-26)13-16-30(34)21-32-17-14-25(30)15-18-32/h2-12,19,25,34H,14-15,17-18,20-21H2,1H3,(H,31,33)/t30-/m0/s1	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	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair