BDBM50457772 CHEMBL4211480

SMILES: Oc1ccc(cc1)C(=O)c1c2C(=O)OCc2ccc1-c1ccc(O)cc1

InChI Key: InChIKey=PXBJKBXSEIJNMT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50457772   

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))	BDBM50457772 (CHEMBL4211480) Show SMILES Oc1ccc(cc1)C(=O)c1c2C(=O)OCc2ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C21H14O5/c22-15-6-1-12(2-7-15)17-10-5-14-11-26-21(25)18(14)19(17)20(24)13-3-8-16(23)9-4-13/h1-10,22-23H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457772 (CHEMBL4211480) Show SMILES Oc1ccc(cc1)C(=O)c1c2C(=O)OCc2ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C21H14O5/c22-15-6-1-12(2-7-15)17-10-5-14-11-26-21(25)18(14)19(17)20(24)13-3-8-16(23)9-4-13/h1-10,22-23H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase (2 and 3) (Homo sapiens (Human))	BDBM50457772 (CHEMBL4211480) Show SMILES Oc1ccc(cc1)C(=O)c1c2C(=O)OCc2ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C21H14O5/c22-15-6-1-12(2-7-15)17-10-5-14-11-26-21(25)18(14)19(17)20(24)13-3-8-16(23)9-4-13/h1-10,22-23H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair