BDBM50312676 CHEMBL1076672::Podpphyllotoxinyl 4-(4-methoxyphenethylamino)-4-oxobutanoate

SMILES: COc1ccc(CCNC(=O)CCC(=O)O[C@H]2[C@@H]3COC(=O)[C@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4OCOc4cc23)cc1

InChI Key: InChIKey=YEVGCSRMZIRADT-OAHPYZLPSA-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 = 50312676   

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
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50312676 (CHEMBL1076672 | Podpphyllotoxinyl 4-(4-methoxyphen...) Show SMILES COc1ccc(CCNC(=O)CCC(=O)O[C@H]2[C@@H]3COC(=O)[C@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4OCOc4cc23)cc1 |r| Show InChI InChI=1S/C35H37NO11/c1-40-21-7-5-19(6-8-21)11-12-36-29(37)9-10-30(38)47-33-23-16-26-25(45-18-46-26)15-22(23)31(32-24(33)17-44-35(32)39)20-13-27(41-2)34(43-4)28(14-20)42-3/h5-8,13-16,24,31-33H,9-12,17-18H2,1-4H3,(H,36,37)/t24-,31+,32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX2				Bioorg Med Chem Lett 20: 1787-91 (2010) Article DOI: 10.1016/j.bmcl.2010.01.009 BindingDB Entry DOI: 10.7270/Q2J966H5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50312676 (CHEMBL1076672 | Podpphyllotoxinyl 4-(4-methoxyphen...) Show SMILES COc1ccc(CCNC(=O)CCC(=O)O[C@H]2[C@@H]3COC(=O)[C@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4OCOc4cc23)cc1 |r| Show InChI InChI=1S/C35H37NO11/c1-40-21-7-5-19(6-8-21)11-12-36-29(37)9-10-30(38)47-33-23-16-26-25(45-18-46-26)15-22(23)31(32-24(33)17-44-35(32)39)20-13-27(41-2)34(43-4)28(14-20)42-3/h5-8,13-16,24,31-33H,9-12,17-18H2,1-4H3,(H,36,37)/t24-,31+,32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 20: 1787-91 (2010) Article DOI: 10.1016/j.bmcl.2010.01.009 BindingDB Entry DOI: 10.7270/Q2J966H5
					More data for this Ligand-Target Pair