BDBM50105588 2,3,4-Trihydroxy-benzoic acid chroman-3-yl ester::CHEMBL93249

SMILES: Oc1ccc(C(=O)OC2COc3ccccc3C2)c(O)c1O

InChI Key: InChIKey=YQONTLAGPKALHZ-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 = 50105588   

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 protease (Human immunodeficiency virus type 1)	BDBM50105588 (2,3,4-Trihydroxy-benzoic acid chroman-3-yl ester |...) Show SMILES Oc1ccc(C(=O)OC2COc3ccccc3C2)c(O)c1O Show InChI InChI=1S/C16H14O6/c17-12-6-5-11(14(18)15(12)19)16(20)22-10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,17-19H,7-8H2	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 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)	BDBM50105588 (2,3,4-Trihydroxy-benzoic acid chroman-3-yl ester |...) Show SMILES Oc1ccc(C(=O)OC2COc3ccccc3C2)c(O)c1O Show InChI InChI=1S/C16H14O6/c17-12-6-5-11(14(18)15(12)19)16(20)22-10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,17-19H,7-8H2	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 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