BDBM24780 2-methyl-1,4-benzoquinone, 9::2-methylcyclohexa-2,5-diene-1,4-dione

SMILES: CC1=CC(=O)C=CC1=O

InChI Key: InChIKey=VTWDKFNVVLAELH-UHFFFAOYSA-N

Data: 1 IC50  1 Other

PDB links: 111 PDB IDs contain this monomer as substructures. 111 PDB IDs contain inhibitors having a similarity of 90% to 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 2 hits for monomerid = 24780   

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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Schistosoma mansoni)	BDBM24780 (2-methyl-1,4-benzoquinone, 9 | 2-methylcyclohexa-2...) Show SMILES CC1=CC(=O)C=CC1=O |c:5,t:1| Show InChI InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay				Eur J Med Chem 167: 357-366 (2019) Article DOI: 10.1016/j.ejmech.2019.02.018
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24780 (2-methyl-1,4-benzoquinone, 9 | 2-methylcyclohexa-2...) Show SMILES CC1=CC(=O)C=CC1=O |c:5,t:1| Show InChI InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair