Identical Ligands in BindingDB

Found 8 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [600-1028,C879S]/[600-1151,C879S]   (429/429 = 100%)† (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	8.0	37
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH   (543/552 = 98%)† (Human immunodeficiency virus 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM, CSIC) Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H using RNA-DNA hybrid duplex after 30 mins by FRET-based microplate fluorescence assay				Eur J Med Chem 150: 206-227 (2018) Article DOI: 10.1016/j.ejmech.2018.03.007 BindingDB Entry DOI: 10.7270/Q2D79F0J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1028,D666N,K669R,T814F,K818Q,C879S]/[600-1151,D666N,K669R,T814F,K818Q,C879S]   (425/429 > 99%)† (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1028,Y780C]/[600-1151,Y780C]   (428/429 > 99%)† (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1028,L699I,K702N,C879S]/[600-1151,L699I,K702N,C879S]   (427/429 > 99%)† (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1028,V705A,Y780C,C879S]/[600-1151,V705A,Y780C,C879S]   (427/429 > 99%)† (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1028,Y787L]/[600-1151,Y787L]   (428/429 > 99%)† (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1028,C879S]/[600-1151,C879S]   (429/429 = 100%)† (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	7.8	37
Rutgers University					Assay Description HIV-1 RT RDDP activity was generally determined by a fixed time assay. Briefly, reaction mixtures contained p51/p66 RT, template-primer, and [3H]-TTP...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)

• Reorder this table by ec50
• Reorder this table by ic50
• Reorder this table by Kd
• Reorder this table by pH
• Reorder this table by T
• Reorder this table by ΔH°
• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

Search BindingMOAD for More Affinity Data: