Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 592.4 BDBM50452614

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50452614 (CHEMBL4214104) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)c3ccc(I)cc3)cc21)C(O)=O |r| Show InChI InChI=1S/C24H21IN2O6S/c1-13(2)22(24(29)30)27-34(31,32)17-8-9-18-19-11-16(7-10-20(19)33-21(18)12-17)26-23(28)14-3-5-15(25)6-4-14/h3-13,22,27H,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP12 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorescence spectrometry				Bioorg Med Chem Lett 28: 193-195 (2018) Article DOI: 10.1016/j.bmcl.2017.11.027 BindingDB Entry DOI: 10.7270/Q2PG1VBV
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50452614 (CHEMBL4214104) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)c3ccc(I)cc3)cc21)C(O)=O |r| Show InChI InChI=1S/C24H21IN2O6S/c1-13(2)22(24(29)30)27-34(31,32)17-8-9-18-19-11-16(7-10-20(19)33-21(18)12-17)26-23(28)14-3-5-15(25)6-4-14/h3-13,22,27H,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorescence spectrometry				Bioorg Med Chem Lett 28: 193-195 (2018) Article DOI: 10.1016/j.bmcl.2017.11.027 BindingDB Entry DOI: 10.7270/Q2PG1VBV
					More data for this Ligand-Target Pair