BDBM50427032 6,6''-Biapigenin::CHEMBL2322196

SMILES: Oc1ccc(cc1)-c1cc(O)c2c(cc(O)c(-c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2=O)o1

InChI Key: InChIKey=WROXPDVNEJZQNX-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 = 50427032   

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
NEDD8-activating enzyme E1 regulatory subunit (Homo sapiens (Human))	BDBM50427032 (6,6''-Biapigenin | CHEMBL2322196) Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cc(O)c(-c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2=O)o1 |(1,-46.28,;2.34,-47.05,;2.34,-48.59,;3.67,-49.36,;5.01,-48.59,;5,-47.04,;3.67,-46.28,;6.34,-49.36,;6.35,-50.9,;7.67,-51.67,;7.67,-53.21,;9.01,-50.9,;9.01,-49.36,;10.33,-48.59,;11.66,-49.35,;12.99,-48.58,;11.66,-50.89,;13,-51.66,;12.99,-53.2,;11.66,-53.97,;14.33,-53.97,;15.66,-53.19,;16.99,-53.96,;18.32,-53.19,;18.32,-51.65,;16.98,-50.87,;16.98,-49.33,;15.65,-51.65,;14.32,-50.89,;14.31,-49.35,;19.65,-53.96,;19.65,-55.5,;20.98,-56.27,;22.32,-55.5,;23.65,-56.27,;22.31,-53.95,;20.98,-53.19,;10.34,-51.66,;10.34,-53.2,;7.68,-48.58,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-33,35-36,38H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of NAE (unknown origin)-catalyzed transthiolation of NEDD8 from NAE to Ubc12				J Med Chem 56: 2165-77 (2013) Article DOI: 10.1021/jm301420b BindingDB Entry DOI: 10.7270/Q29P32ZT
					More data for this Ligand-Target Pair
NEDD8-activating enzyme E1 regulatory subunit (Homo sapiens (Human))	BDBM50427032 (6,6''-Biapigenin | CHEMBL2322196) Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cc(O)c(-c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2=O)o1 |(1,-46.28,;2.34,-47.05,;2.34,-48.59,;3.67,-49.36,;5.01,-48.59,;5,-47.04,;3.67,-46.28,;6.34,-49.36,;6.35,-50.9,;7.67,-51.67,;7.67,-53.21,;9.01,-50.9,;9.01,-49.36,;10.33,-48.59,;11.66,-49.35,;12.99,-48.58,;11.66,-50.89,;13,-51.66,;12.99,-53.2,;11.66,-53.97,;14.33,-53.97,;15.66,-53.19,;16.99,-53.96,;18.32,-53.19,;18.32,-51.65,;16.98,-50.87,;16.98,-49.33,;15.65,-51.65,;14.32,-50.89,;14.31,-49.35,;19.65,-53.96,;19.65,-55.5,;20.98,-56.27,;22.32,-55.5,;23.65,-56.27,;22.31,-53.95,;20.98,-53.19,;10.34,-51.66,;10.34,-53.2,;7.68,-48.58,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-33,35-36,38H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of NAE (unknown origin) assessed as decrease in NEDD8-Ubcl2 formation				J Med Chem 56: 2165-77 (2013) Article DOI: 10.1021/jm301420b BindingDB Entry DOI: 10.7270/Q29P32ZT
					More data for this Ligand-Target Pair