BDBM50466706 CHEMBL4291027

SMILES: CO[C@@H]1O[C@H](CNC(=S)NCCN([C@H](C(C)C)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

InChI Key: InChIKey=MZDHADNFNLQINL-JCEMFXAJSA-N

Data: 2 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 2 hits for monomerid = 50466706   

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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50466706 (CHEMBL4291027) Show SMILES CO[C@@H]1O[C@H](CNC(=S)NCCN([C@H](C(C)C)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O12S2/c1-19(2)27(31(40)41)36(50(42,43)25-14-12-24(13-15-25)23-10-8-7-9-11-23)17-16-34-33(49)35-18-26-28(45-20(3)37)29(46-21(4)38)30(47-22(5)39)32(44-6)48-26/h7-15,19,26-30,32H,16-18H2,1-6H3,(H,40,41)(H2,34,35,49)/t26-,27-,28-,29+,30-,32-/m1/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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...				Bioorg Med Chem 26: 5804-5815 (2018) Article DOI: 10.1016/j.bmc.2018.10.024 BindingDB Entry DOI: 10.7270/Q2SN0CPT
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50466706 (CHEMBL4291027) Show SMILES CO[C@@H]1O[C@H](CNC(=S)NCCN([C@H](C(C)C)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O12S2/c1-19(2)27(31(40)41)36(50(42,43)25-14-12-24(13-15-25)23-10-8-7-9-11-23)17-16-34-33(49)35-18-26-28(45-20(3)37)29(46-21(4)38)30(47-22(5)39)32(44-6)48-26/h7-15,19,26-30,32H,16-18H2,1-6H3,(H,40,41)(H2,34,35,49)/t26-,27-,28-,29+,30-,32-/m1/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	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate add...				Bioorg Med Chem 26: 5804-5815 (2018) Article DOI: 10.1016/j.bmc.2018.10.024 BindingDB Entry DOI: 10.7270/Q2SN0CPT
					More data for this Ligand-Target Pair