Compile Data Set for Download or QSAR
Found 47 Enz. Inhib. hit(s) with all data for entry = 50014324
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574914(CHEMBL4870440)copy SMILES
Affinity DataIC50: 8nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50103642(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)copy SMILEScopy InChI
Affinity DataIC50: 27nMAssay Description:Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574918(CHEMBL4847479)copy SMILES
Affinity DataIC50: 32nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574910(CHEMBL4854307)copy SMILES
Affinity DataIC50: 41nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574916(CHEMBL4866439)copy SMILES
Affinity DataIC50: 43nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574915(CHEMBL4869684)copy SMILES
Affinity DataIC50: 51nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574917(CHEMBL4857862)copy SMILES
Affinity DataIC50: 53nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574911(CHEMBL4857020)copy SMILES
Affinity DataIC50: 53nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574919(CHEMBL4867386)copy SMILES
Affinity DataIC50: 59nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574912(CHEMBL4863522)copy SMILES
Affinity DataIC50: 65nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50501152(CHEMBL3929927)copy SMILEScopy InChI
Affinity DataIC50: 76nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574913(CHEMBL4848008)copy SMILES
Affinity DataIC50: 81nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574902(CHEMBL4870164)copy SMILES
Affinity DataIC50: 89nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 101nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
LigandPNGBDBM50501152(CHEMBL3929927)copy SMILEScopy InChI
Affinity DataIC50: 130nMAssay Description:Inhibition of human ERG expressed in CHO cells by manual patch clamp techniqueMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574899(CHEMBL4862680)copy SMILES
Affinity DataIC50: 134nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574900(CHEMBL4875207)copy SMILES
Affinity DataIC50: 143nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574901(CHEMBL4845772)copy SMILES
Affinity DataIC50: 144nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50207551(CHEMBL3977345)copy SMILEScopy InChI
Affinity DataIC50: 148nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574898(CHEMBL4864380)copy SMILES
Affinity DataIC50: 151nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574908(CHEMBL4859275)copy SMILES
Affinity DataIC50: 171nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574906(CHEMBL4847133)copy SMILES
Affinity DataIC50: 179nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Inhibition of human ERG expressed in CHO cells by manual patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574907(CHEMBL4854169)copy SMILES
Affinity DataIC50: 184nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574904(CHEMBL4857173)copy SMILES
Affinity DataIC50: 203nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574903(CHEMBL4869226)copy SMILES
Affinity DataIC50: 230nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574909(CHEMBL4846923)copy SMILES
Affinity DataIC50: 232nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 335nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 346nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50014323(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)copy SMILEScopy InChI
Affinity DataIC50: 386nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay Description:Inhibition of human ERG expressed in CHO cells by manual patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50090677(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)copy SMILEScopy InChI
Affinity DataIC50: 586nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMedDrugBank
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM1434(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)copy SMILEScopy InChI
Affinity DataIC50: 778nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM1434(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)copy SMILEScopy InChI
Affinity DataIC50: 778nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50574913(CHEMBL4848008)copy SMILES
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50574913(CHEMBL4848008)copy SMILES
Affinity DataIC50: 1.78E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 9.11E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
LigandPNGBDBM50574913(CHEMBL4848008)copy SMILES
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by manual patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50574913(CHEMBL4848008)copy SMILES
Affinity DataIC50: 3.41E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50574913(CHEMBL4848008)copy SMILES
Affinity DataIC50: 5.39E+4nMAssay Description:Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50574913(CHEMBL4848008)copy SMILES
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50574905(CHEMBL4872666)copy SMILES
Affinity DataIC50: 3.63E+5nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057KRWPubMed