BDBM50279934 2-Methoxy-5-(2,3,4-trimethoxy-phenyl)-cyclohepta-2,4,6-trienone::2-methoxy-5-(2,3,4-trimethoxyphenyl)-::CHEMBL79720

SMILES: COc1ccc(c(OC)c1OC)-c1ccc(OC)c(=O)cc1

InChI Key: InChIKey=QIMGSZURBOTPMW-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50279934   

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
Tubulin (Sus scrofa (Pig))	BDBM50279934 (2-Methoxy-5-(2,3,4-trimethoxy-phenyl)-cyclohepta-2...) Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(OC)c(=O)cc1 Show InChI InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay				Bioorg Med Chem Lett 1: 471-476 (1991) Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92
					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50279934 (2-Methoxy-5-(2,3,4-trimethoxy-phenyl)-cyclohepta-2...) Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(OC)c(=O)cc1 Show InChI InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem		n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of purified bovine brain tubulin polymerisation in the absence of microtubule-associated proteins.				Citation and Details BindingDB Entry DOI: 10.7270/Q2PK0J9B
					More data for this Ligand-Target Pair
Tubulin (Bos taurus)	BDBM50279934 (2-Methoxy-5-(2,3,4-trimethoxy-phenyl)-cyclohepta-2...) Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(OC)c(=O)cc1 Show InChI InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub...				Bioorg Med Chem Lett 3: 565-570 (1993) Article DOI: 10.1016/S0960-894X(01)81230-0 BindingDB Entry DOI: 10.7270/Q2F76D1R
					More data for this Ligand-Target Pair				3D Structure (crystal)