BDBM50541116 CHEBI:87202::ROSE BENGAL::Rose bengal

SMILES: OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12

InChI Key: InChIKey=VDNLFJGJEQUWRB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50541116   

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
poly(ADP-ribose) glycohydrolase (PARG) (Homo sapiens (Human))	BDBM50541116 (CHEBI:87202 | ROSE BENGAL | Rose bengal) Show SMILES OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(2.68,-2.06,;2.67,-3.09,;3.74,-3.7,;1.34,-3.85,;1.34,-5.39,;2.4,-6.01,;0,-6.16,;0,-7.39,;-1.33,-5.39,;-2.4,-6.01,;-1.33,-3.85,;-2.4,-3.23,;0,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-5.07,1.39,;-2.67,1.54,;-2.67,2.77,;-1.33,.77,;,1.54,;1.31,.77,;2.67,1.54,;2.67,2.77,;4,.77,;5.07,1.39,;4,-.77,;5.07,-1.39,;2.67,-1.54,;1.31,-.77,)| Show InChI InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair