BDBM50269015 CHEMBL497000::rhein methylester

SMILES: COC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

InChI Key: InChIKey=SGDMEGYCHABPCQ-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50269015   

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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50269015 (CHEMBL497000 | rhein methylester) Show SMILES COC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C16H10O6/c1-22-16(21)7-5-9-13(11(18)6-7)15(20)12-8(14(9)19)3-2-4-10(12)17/h2-6,17-18H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB0413 from human platelet P2Y12 receptor				J Med Chem 52: 3784-93 (2009) Article DOI: 10.1021/jm9003297 BindingDB Entry DOI: 10.7270/Q2NK3FZF
					More data for this Ligand-Target Pair