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TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577958(CHEMBL4859512)
Affinity DataKi:  0.0160nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rat)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577958(CHEMBL4859512)
Affinity DataKi:  0.0720nMAssay Description:Displacement of [3H]DPDPE from rat delta opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting metho...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rat)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577958(CHEMBL4859512)
Affinity DataKi:  0.294nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Human)
Nankai University

Curated by ChEMBL
LigandPNGBDBM21190(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Affinity DataKi:  0.302nMAssay Description:Antagonist activity at A2AR (unknown origin)More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Human)
Nankai University

Curated by ChEMBL
LigandPNGBDBM21190(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Affinity DataKi:  0.302nMAssay Description:Antagonist activity at A2AR (unknown origin)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electric eel)
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50293451(1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Affinity DataKi:  0.310nMAssay Description:Inhibition of electric eel AChE by LB plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50506108(CHEMBL4449252)
Affinity DataKi:  0.470nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
LigandPNGBDBM26555(2-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}ethane-...)
Affinity DataKi:  2nM ΔG°:  -49.2kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Human)
Sichuan Haisco Pharmaceutical

US Patent
LigandPNGBDBM320260(US10174020, Compound 8-1)
Affinity DataKi:  2nMAssay Description:The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24601(Benzimidazole urea analogue, 5 | N-cyclopropyl-1-{...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24606(Benzimidazole urea analogue, 10 | methyl 2-[(ethyl...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24608(3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24609(3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24611(3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-y...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24614(3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24615(Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24616(1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24617(3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-...)
Affinity DataKi: <4nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Human)
Sichuan Haisco Pharmaceutical

US Patent
LigandPNGBDBM320262(5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-...)
Affinity DataKi:  4nMAssay Description:The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

LigandPNGBDBM26556(3-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}propane...)
Affinity DataKi:  4.5nM ΔG°:  -47.2kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26549((3R)-1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}py...)
Affinity DataKi:  5nM ΔG°:  -46.9kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24607(2-[(ethylcarbamoyl)amino]-N-methyl-5-(pyridin-3-yl...)
Affinity DataKi:  5nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24610(1-[5,7-bis(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-...)
Affinity DataKi:  6nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577936(CHEMBL4864911)
Affinity DataKi:  6nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50000780(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Affinity DataKi:  6.10nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577953(CHEMBL4876542)
Affinity DataKi:  6.60nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rat)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Affinity DataKi:  6.90nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetDNA topoisomerase 4 subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24616(1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...)
Affinity DataKi:  7nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Vertex Pharmaceuticals

LigandPNGBDBM24609(3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...)
Affinity DataKi:  7nM ΔG°:  -47.3kJ/molepH: 7.5 T: 30°CAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577940(CHEMBL4848808)
Affinity DataKi:  7.10nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577937(CHEMBL4860416)
Affinity DataKi:  7.20nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577941(CHEMBL4873458)
Affinity DataKi:  8nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Vertex Pharmaceuticals

LigandPNGBDBM24606(Benzimidazole urea analogue, 10 | methyl 2-[(ethyl...)
Affinity DataKi:  8nM ΔG°:  -47.0kJ/molepH: 7.5 T: 30°CAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26553(2-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}ethane-1-...)
Affinity DataKi:  8nM ΔG°:  -45.7kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Human)
Sichuan Haisco Pharmaceutical

US Patent
LigandPNGBDBM320255(N-(2-carboxyindol-5-yl)-7-(5-chloro-2-(1H-tetrazol...)
Affinity DataKi:  9nMAssay Description:The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577947(CHEMBL4875933)
Affinity DataKi:  9.80nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Vertex Pharmaceuticals

LigandPNGBDBM24615(Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...)
Affinity DataKi:  10nM ΔG°:  -46.4kJ/molepH: 7.5 T: 30°CAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  10nM ΔG°:  -45.2kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Vertex Pharmaceuticals

LigandPNGBDBM24601(Benzimidazole urea analogue, 5 | N-cyclopropyl-1-{...)
Affinity DataKi:  10nM ΔG°:  -46.4kJ/molepH: 7.5 T: 30°CAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  10nM ΔG°:  -45.2kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Vertex Pharmaceuticals

LigandPNGBDBM282((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...)
Affinity DataKi:  10nM ΔG°:  -46.4kJ/molepH: 7.5 T: 30°CAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  10nM ΔG°:  -45.2kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26548(1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}azetidi...)
Affinity DataKi:  11nM ΔG°:  -45.0kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 4 subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24617(3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-...)
Affinity DataKi:  11nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Vertex Pharmaceuticals

LigandPNGBDBM24616(1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...)
Affinity DataKi:  12nM ΔG°:  -46.0kJ/molepH: 7.5 T: 30°CAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50577949(CHEMBL4860580)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 4 subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24615(Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...)
Affinity DataKi:  12nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26542(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}azetidine...)
Affinity DataKi:  13nM ΔG°:  -44.6kJ/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM282((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...)
Affinity DataKi:  14nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
TargetDNA topoisomerase 4 subunit A/B(Escherichia coli (strain K12))
Vertex Pharmaceuticals

LigandPNGBDBM24609(3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...)
Affinity DataKi:  14nMAssay Description:Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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