SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 177.1
BDBM33410

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Polymerase acidic protein (Hepatitis C virus)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to PA N-terminal domain (Competitive)				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	135	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
Gilead Sciences Inc.					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in RNA 5' end directed clea...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNasH activity				Bioorg Med Chem Lett 20: 6754-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.135 BindingDB Entry DOI: 10.7270/Q21N8405
Merck and Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
Universit£ de Lille 1 Curated by ChEMBL					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
Roche Discovery Welwyn Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Polymerase acidic protein (Hepatitis C virus)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate after 90 mins by scintillation counting				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
Shandong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by li...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
Universit£ de Lille 1 Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Eur J Med Chem 83: 609-16 (2014) Article DOI: 10.1016/j.ejmech.2014.06.061 BindingDB Entry DOI: 10.7270/Q2MG7R34
GlaxoSmithKline Research& Development Curated by ChEMBL					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM33410 (CHEMBL16755 \| N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Plaque growth inhibition				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair				3D Structure (crystal)