BDBM50105587 Benzoic acid 5,7-dihydroxy-chroman-3-yl ester::CHEMBL92678

SMILES: Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1

InChI Key: InChIKey=VVJDVIDJTVHKEI-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50105587   

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)	BDBM50105587 (Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1 Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2	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)	BDBM50105587 (Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1 Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2	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)	BDBM50105587 (Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1 Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2	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 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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50105587 (Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1 Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2	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 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 protease (Human immunodeficiency virus type 1)	BDBM50105587 (Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1 Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2	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 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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50105587 (Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1 Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2	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 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