BDBM112637 Griffithane B (10)

SMILES: COc1cc(CCCc2ccc(O)cc2OC)ccc1O

InChI Key: InChIKey=DWDSYTBAOIEKLG-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 = 112637   

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
Cystathionine gamma-lyase (Homo sapiens (Human))	BDBM112637 (Griffithane B (10)) Show SMILES COc1cc(CCCc2ccc(O)cc2OC)ccc1O Show InChI InChI=1S/C17H20O4/c1-20-16-11-14(18)8-7-13(16)5-3-4-12-6-9-15(19)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.0	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description 500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair
DOPA decarboxylase (DDC) (Homo sapiens (Human))	BDBM112637 (Griffithane B (10)) Show SMILES COc1cc(CCCc2ccc(O)cc2OC)ccc1O Show InChI InChI=1S/C17H20O4/c1-20-16-11-14(18)8-7-13(16)5-3-4-12-6-9-15(19)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.05	37
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology					Assay Description To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...				ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F
					More data for this Ligand-Target Pair