BDBM33411 β-Thujaplicinol::hydroxytropolone, 3

SMILES: CC(C)c1ccc(O)c(=O)c(O)c1

InChI Key: InChIKey=HVGNSPLLPQWYGC-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 4 PDB IDs match this monomer.

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 7 hits for monomerid = 33411   

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
HIV-1 Reverse Transcriptase RNase H (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.8	37
McGill University					Assay Description To compare activity and inhibition of E. coli RNase H with HIV-1 RNase H, theconcentration of the E. coli was adjusted to the efficiency of 500 nM HI...				J Biol Chem 289: 16270-7 (2014) Article DOI: 10.1074/jbc.M114.569707 BindingDB Entry DOI: 10.7270/Q2MW2G0Q
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Food and Drug Administration Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus-1 reverse transcriptase associated RNase H activity using using 18-nucleotide 3,-fluorescein-labeled RNA s...				J Nat Prod 78: 315-9 (2015) Article DOI: 10.1021/np5006696 BindingDB Entry DOI: 10.7270/Q218386T
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV-1 BH10 reverse transcriptase RNase H activity expressed in Escherichia coli using [32P]-labeled template primer 31Trna/21P as subst...				Eur J Med Chem 155: 714-724 (2018) Article DOI: 10.1016/j.ejmech.2018.06.036 BindingDB Entry DOI: 10.7270/Q2571FKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...				J Med Chem 54: 4462-73 (2011) Article DOI: 10.1021/jm2000757 BindingDB Entry DOI: 10.7270/Q26T0QH5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 2)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of RNase H activity of HIV-2 reverse transcriptase				Antimicrob Agents Chemother 54: 3913-21 (2010) Article DOI: 10.1128/AAC.00434-10 BindingDB Entry DOI: 10.7270/Q2JW8F56
					More data for this Ligand-Target Pair