BDBM50457778 CHEMBL4213048

SMILES: COc1ccc(cc1-c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1

InChI Key: InChIKey=AIVYZCJXXLBOGY-UHFFFAOYSA-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 = 50457778   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457778 (CHEMBL4213048) Show SMILES COc1ccc(cc1-c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(38.61,-43.64,;38.6,-42.1,;37.27,-41.33,;35.93,-42.1,;34.59,-41.33,;34.6,-39.78,;35.93,-39.01,;37.26,-39.78,;38.59,-39,;38.58,-37.47,;37.24,-36.71,;39.91,-36.69,;41.25,-37.45,;42.58,-36.68,;43.92,-37.45,;43.92,-39,;42.58,-39.76,;42.58,-41.3,;41.25,-39,;39.93,-39.77,;39.93,-41.31,;45.25,-36.68,;46.58,-37.45,;47.92,-36.69,;47.92,-35.14,;49.25,-34.37,;46.58,-34.37,;45.25,-35.14,;33.26,-39.01,;33.27,-37.47,;31.94,-36.7,;31.94,-35.16,;30.6,-37.47,;29.28,-36.69,;29.29,-35.15,;27.94,-37.46,;27.94,-39,;26.6,-39.77,;29.27,-39.77,;30.59,-39.01,;31.93,-39.79,)| Show InChI InChI=1S/C31H22O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-11,13,24,32-35,38H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.74E+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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457778 (CHEMBL4213048) Show SMILES COc1ccc(cc1-c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(38.61,-43.64,;38.6,-42.1,;37.27,-41.33,;35.93,-42.1,;34.59,-41.33,;34.6,-39.78,;35.93,-39.01,;37.26,-39.78,;38.59,-39,;38.58,-37.47,;37.24,-36.71,;39.91,-36.69,;41.25,-37.45,;42.58,-36.68,;43.92,-37.45,;43.92,-39,;42.58,-39.76,;42.58,-41.3,;41.25,-39,;39.93,-39.77,;39.93,-41.31,;45.25,-36.68,;46.58,-37.45,;47.92,-36.69,;47.92,-35.14,;49.25,-34.37,;46.58,-34.37,;45.25,-35.14,;33.26,-39.01,;33.27,-37.47,;31.94,-36.7,;31.94,-35.16,;30.6,-37.47,;29.28,-36.69,;29.29,-35.15,;27.94,-37.46,;27.94,-39,;26.6,-39.77,;29.27,-39.77,;30.59,-39.01,;31.93,-39.79,)| Show InChI InChI=1S/C31H22O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-11,13,24,32-35,38H,12H2,1H3	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	>1.00E+5	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