BDBM50109694 3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester::CHEMBL147336

SMILES: Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1

InChI Key: InChIKey=DHZFJGMXZNYFJY-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 = 50109694   

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)	BDBM50109694 (3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1 Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	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)	BDBM50109694 (3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1 Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+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 strand transfer 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)	BDBM50109694 (3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1 Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	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 strand transfer 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)	BDBM50109694 (3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1 Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+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 strand transfer 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