BDBM50105592 2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chroman-3-yl)-ethyl ester::CHEMBL92138

SMILES: Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O

InChI Key: InChIKey=ZLAOMLWJCCKPLL-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 = 50105592   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50105592 (2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chr...) Show SMILES Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O Show InChI InChI=1S/C18H18O8/c19-12-2-1-11(16(22)17(12)23)18(24)25-4-3-9-5-10-6-13(20)14(21)7-15(10)26-8-9/h1-2,6-7,9,19-23H,3-5,8H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50105592 (2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chr...) Show SMILES Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O Show InChI InChI=1S/C18H18O8/c19-12-2-1-11(16(22)17(12)23)18(24)25-4-3-9-5-10-6-13(20)14(21)7-15(10)26-8-9/h1-2,6-7,9,19-23H,3-5,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair