Compile Data Set for Download or QSAR
Found 15214 with Last Name = 'yu' and Initial = 'y'
TargetGlutamate carboxypeptidase 2(Homo sapiens (Human))
Institutions

Curated by ChEMBL
LigandPNGBDBM50246899((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assayMore data for this Ligand-Target Pair
TargetGlutamate carboxypeptidase 2(Homo sapiens (Human))
Institutions

Curated by ChEMBL
LigandPNGBDBM50246899((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assayMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Mahidol University

LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  0.0110nM ΔG°:  -62.5kJ/mole IC50:  0.570nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Mahidol University

LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  0.0200nM ΔG°:  -61.1kJ/mole IC50:  2.30nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium vivax (malaria parasite P. vivax))
National Center for Genetic Engineering and Biotechnology at Thailand

LigandPNGBDBM18788(6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...)
Affinity DataKi:  0.0300nM ΔG°:  -60.1kJ/mole IC50:  1.82E+3nMpH: 7.0 T: 2°CAssay Description:Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.0330nM ΔG°:  -59.2kJ/molepH: 7.4 T: 2°CAssay Description:The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L](Plasmodium falciparum (isolate K1 / Thailand))
Mahidol University

LigandPNGBDBM18793(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Affinity DataKi:  0.0370nM ΔG°:  -59.5kJ/mole IC50:  18nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50513202(CHEMBL4463050)
Affinity DataKi:  0.0450nMAssay Description:Inhibition of p53 protein binding to MDM2 in human SJSA1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](Plasmodium vivax (malaria parasite P. vivax))
National Center for Genetic Engineering and Biotechnology at Thailand

LigandPNGBDBM18788(6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...)
Affinity DataKi:  0.0800nM IC50:  1.52E+3nMAssay Description:Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50352114(CHEMBL1824509 | CHEMBL1852788)
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50352114(CHEMBL1824509 | CHEMBL1852788)
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]Naloxone from mu opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492288(CHEMBL2397015)
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492288(CHEMBL2397015)
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50399663(CHEMBL2177697)
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492293(CHEMBL2397018)
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492293(CHEMBL2397018)
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50071445(CHEMBL310039 | N-[(R)-1-[(S)-2-Ethenesulfonylamino...)
Affinity DataKi:  0.140nMAssay Description:Binding affinity to Endothelin B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50494375(CHEMBL3086756)
Affinity DataKi:  0.140nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50266857((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Affinity DataKi:  0.140nMAssay Description:Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
National Research Council of Canada

Curated by ChEMBL
LigandPNGBDBM50004744(CHEMBL2370453 | Hirudin analogue)
Affinity DataKi:  0.140nMAssay Description:Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-AmcMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50352114(CHEMBL1824509 | CHEMBL1852788)
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50352114(CHEMBL1824509 | CHEMBL1852788)
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492292(CHEMBL2397021)
Affinity DataKi:  0.160nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492292(CHEMBL2397021)
Affinity DataKi:  0.160nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50494377(CHEMBL3086755)
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50352115(CHEMBL1824510 | CHEMBL1852385)
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50352115(CHEMBL1824510 | CHEMBL1852385)
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50494376(CHEMBL3086754)
Affinity DataKi:  0.190nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGlutamate carboxypeptidase 2(Homo sapiens (Human))
Institutions

Curated by ChEMBL
LigandPNGBDBM50246934((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...)
Affinity DataKi:  0.194nMAssay Description:Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Mahidol University

LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.200nM ΔG°:  -55.4kJ/mole IC50:  80nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium vivax (malaria parasite P. vivax))
National Center for Genetic Engineering and Biotechnology at Thailand

LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataKi:  0.210nM ΔG°:  -55.2kJ/mole IC50:  180nMpH: 7.0 T: 2°CAssay Description:Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...More data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50071438((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...)
Affinity DataKi:  0.210nMAssay Description:Binding affinity to Endothelin B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50071435((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...)
Affinity DataKi:  0.230nMAssay Description:Binding affinity to Endothelin B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50071437(CHEMBL308102 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...)
Affinity DataKi:  0.230nMAssay Description:Binding affinity to Endothelin B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50071423(CHEMBL72924 | N-[(R)-1-[(S)-2-(2-Ethoxy-ethanesulf...)
Affinity DataKi:  0.230nMAssay Description:Binding affinity to Endothelin B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50071436(CHEMBL306950 | N-[(R)-1-[(S)-2-(Butane-1-sulfonyla...)
Affinity DataKi:  0.240nMAssay Description:Binding affinity to Endothelin B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50071420(CHEMBL72348 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...)
Affinity DataKi:  0.240nMAssay Description:Binding affinity to Endothelin B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Macaca fascicularis)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50334986(4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...)
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Macaca fascicularis)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50464147(CHEMBL256907)
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]MIP-1alpha from CCR5 receptor in rhesus monkey membrane incubated for 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme Corp

US Patent
LigandPNGBDBM242266(US9416129, 44)
Affinity DataKi:  0.240nM ΔG°:  -55.8kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGlutamate carboxypeptidase 2(Homo sapiens (Human))
Institutions

Curated by ChEMBL
LigandPNGBDBM50246934((S)-2-(3-((S)-1-carboxy-5-(4-fluorobenzamido)penty...)
Affinity DataKi:  0.256nMAssay Description:Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
RTI International

Curated by ChEMBL
LigandPNGBDBM50516264(CHEMBL4463013)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492287(CHEMBL2397017)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492287(CHEMBL2397017)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492291(CHEMBL2397016)
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50492291(CHEMBL2397016)
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme Corp

US Patent
LigandPNGBDBM242250(US9416129, 28)
Affinity DataKi:  0.280nM ΔG°:  -55.4kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50494376(CHEMBL3086754)
Affinity DataKi:  0.290nMAssay Description:Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Mahidol University

LigandPNGBDBM18792(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Affinity DataKi:  0.300nM ΔG°:  -54.4kJ/mole IC50:  37nMpH: 7.0 T: 2°CAssay Description:The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc...More data for this Ligand-Target Pair
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