BDBM50109688 3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroman-3-yl ester::CHEMBL151315

SMILES: Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=JHAUIQDZLXLNSY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50109688   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50109688 (3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme				Bioorg Med Chem Lett 12: 525-8 (2002) BindingDB Entry DOI: 10.7270/Q26W99DZ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50109688 (3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme				Bioorg Med Chem Lett 12: 525-8 (2002) BindingDB Entry DOI: 10.7270/Q26W99DZ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50109688 (3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme				Bioorg Med Chem Lett 12: 525-8 (2002) BindingDB Entry DOI: 10.7270/Q26W99DZ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50109688 (3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme				Bioorg Med Chem Lett 12: 525-8 (2002) BindingDB Entry DOI: 10.7270/Q26W99DZ
					More data for this Ligand-Target Pair