BDBM50347546 CHEMBL1801951::US10434085, Compound LL-Z164-1

SMILES: COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O

InChI Key: InChIKey=WFIUAGOQGGAREU-XZUJVHTDSA-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 = 50347546   

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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50347546 (CHEMBL1801951 | US10434085, Compound LL-Z164-1) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |r,t:10| Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin)				Bioorg Med Chem 23: 6993-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TNS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50347546 (CHEMBL1801951 | US10434085, Compound LL-Z164-1) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |r,t:10| Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro US Patent					Assay Description The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...				US Patent US10434085 (2019) BindingDB Entry DOI: 10.7270/Q2SB483C
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50347546 (CHEMBL1801951 | US10434085, Compound LL-Z164-1) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |r,t:10| Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA				J Nat Prod 74: 1126-31 (2011) Article DOI: 10.1021/np200062x BindingDB Entry DOI: 10.7270/Q25M6621
					More data for this Ligand-Target Pair