BDBM50179360 CHEMBL3040216
SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
InChI Key InChIKey=VTCUUTNDNRAQSK-NCNWUEASSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 94 hits for monomerid = 50179360
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 3(Homo sapiens (Human))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
Affinity DataKi: 40nMAssay Description:Inhibition of recombinant human NPP3 expressed in CHO cells using ATP as substrate measured after 20 mins by mini-capillary electrophoresisMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Homo sapiens (Human))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
Affinity DataKi: 260nMAssay Description:Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analy...More data for this Ligand-Target Pair
Affinity DataKi: 750nMAssay Description:Non-competitive inhibition of Dengue virus 4 NS3 helicaseMore data for this Ligand-Target Pair
Affinity DataKi: 750nMAssay Description:Non-competitive inhibition of Dengue virus 3 NS3 helicaseMore data for this Ligand-Target Pair
Affinity DataKi: 4.80E+4nMAssay Description:Inhibition of mouse B16-BL6 cells derived heparanase using [3H]HS as substrate after 6 hrs by size exclusion chromatography based liquid scintillatio...More data for this Ligand-Target Pair
Affinity DataKi: 1.16E+5nMAssay Description:Binding affinity to Leishmania mexicana PKMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 3(Homo sapiens (Human))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
Affinity DataIC50: 890nMAssay Description:Inhibition of human NPP3 transfected in COS7 cells using pNP-TMP as substrate incubated for 35 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human FHIT incubated for 1hr in presence of tokyogreen-labeled CMP probe by fluorescence based analysisMore data for this Ligand-Target Pair
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Xihua University
Curated by ChEMBL
Xihua University
Curated by ChEMBL
Affinity DataIC50: 2.31E+4nMAssay Description:Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate in presence of NAD+ by fluorescence based an...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Xihua University
Curated by ChEMBL
Xihua University
Curated by ChEMBL
Affinity DataIC50: 2.31E+4nMAssay Description:Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate in presence of NAD+ by fluorescence based an...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Xihua University
Curated by ChEMBL
Xihua University
Curated by ChEMBL
Affinity DataIC50: 4.60E+4nMAssay Description:Inhibition of SIRT5 (unknown origin)More data for this Ligand-Target Pair
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Xihua University
Curated by ChEMBL
Xihua University
Curated by ChEMBL
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of NAD+ dependent SIRT5 (unknown origin) using chicken histone as substrateMore data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataIC50: 297nMAssay Description:Inhibition of recombinant SIRT1 (unknown origin) using histone deacetylase as substrate incubated for 4 hrs by homogenous fluorescent deacetylase ass...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataIC50: 1.15E+3nMAssay Description:Inhibition of recombinant SIRT2 (unknown origin) using histone deacetylase as substrate incubated for 4 hrs by homogenous fluorescent deacetylase ass...More data for this Ligand-Target Pair
Affinity DataIC50: 1.35E+4nMAssay Description:Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 5.64E+3nMAssay Description:Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 1.61E+4nMAssay Description:Antagonist activity at human P2X5 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 3.32E+4nMAssay Description:Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins b...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Xihua University
Curated by ChEMBL
Xihua University
Curated by ChEMBL
Affinity DataIC50: 2.84E+4nMAssay Description:Inhibition of human SIRT5 using fluorogenic substrate preincubated for 1 hr in presence of NAD followed by substrate addition and measured after 15 t...More data for this Ligand-Target Pair
Affinity DataIC50: 1.41E+4nMAssay Description:Antagonist activity against human P2X2R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx ass...More data for this Ligand-Target Pair
Affinity DataIC50: 4.73E+3nMAssay Description:Antagonist activity against human P2X4R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx ass...More data for this Ligand-Target Pair
Affinity DataIC50: 1.58E+4nMAssay Description:Antagonist activity against human P2X5R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx ass...More data for this Ligand-Target Pair
Affinity DataIC50: 3.52E+4nMAssay Description:Antagonist activity against human P2X7R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx ass...More data for this Ligand-Target Pair
Affinity DataIC50: 3.48E+4nMAssay Description:Antagonist activity against human P2X7R stably transfected in human 1321N1 cells assessed as reduction in BzATP-induced activity incubated for 5 to 1...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Xihua University
Curated by ChEMBL
Xihua University
Curated by ChEMBL
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of recombinant SIRT5 (34 to 302 residues) (unknown origin)More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataIC50: 5.45E+3nMAssay Description:Inhibition of human C-terminal His-tagged SIRT2 (50 to 356 residues) expressed in Escherichia coli using Ac-peptide as substrate incubated for 4 hrs ...More data for this Ligand-Target Pair
In DepthDetails
In DepthDetails
In DepthDetails
In DepthDetails
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of human SIRT2More data for this Ligand-Target Pair
Affinity DataIC50: 1.07E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-2(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...More data for this Ligand-Target Pair
TargetNAD-dependent protein deacetylase sirtuin-3, mitochondrial(Homo sapiens (Human))
H�Pital Kirchberg
Curated by ChEMBL
H�Pital Kirchberg
Curated by ChEMBL
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of N-terminal His-tagged recombinant human SIRT-3 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Homo sapiens (Human))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
Affinity DataIC50: 8.67E+3nMAssay Description:Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 3(Homo sapiens (Human))
University Of Bonn
Curated by ChEMBL
University Of Bonn
Curated by ChEMBL
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of human full length NPP3 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ...More data for this Ligand-Target Pair
TargetEctonucleoside triphosphate diphosphohydrolase 1(Homo sapiens (Human))
Universit£T Rostock
Curated by ChEMBL
Universit£T Rostock
Curated by ChEMBL
Affinity DataIC50: 1.61E+4nMAssay Description:Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...More data for this Ligand-Target Pair
TargetEctonucleoside triphosphate diphosphohydrolase 2(Homo sapiens (Human))
Universit£T Rostock
Curated by ChEMBL
Universit£T Rostock
Curated by ChEMBL
Affinity DataIC50: 2.41E+4nMAssay Description:Inhibition of human NTPDase2 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...More data for this Ligand-Target Pair
TargetEctonucleoside triphosphate diphosphohydrolase 3(Homo sapiens (Human))
Universit£T Rostock
Curated by ChEMBL
Universit£T Rostock
Curated by ChEMBL
Affinity DataIC50: 4.31E+3nMAssay Description:Inhibition of human NTPDase3 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...More data for this Ligand-Target Pair
TargetEctonucleoside triphosphate diphosphohydrolase 8(Homo sapiens (Human))
Universit£T Rostock
Curated by ChEMBL
Universit£T Rostock
Curated by ChEMBL
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human NTPDase8 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.68E+4nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetP2X purinoceptor 1(Homo sapiens (Human))
Gwangju Institute Of Science And Technology (Gist)
Curated by ChEMBL
Gwangju Institute Of Science And Technology (Gist)
Curated by ChEMBL
Affinity DataIC50: 4.30E+3nMAssay Description:Antagonist activity at human P2X1 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 s...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Korea Polar Research Institute
Curated by ChEMBL
Korea Polar Research Institute
Curated by ChEMBL
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of PTP1B (1 to 298 residues) (unknown origin) using p-nitrophenylphosphate as substrate after 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 8.10E+3nMAssay Description:Inhibition of Cbx7 (unknown origin) using FITC-labeled SETDB1-K1170me3 peptide as probe by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.66E+4nMAssay Description:Inhibition of heparanase (unknown origin) assessed as reduction in AGA*IA cleavage after 3 hrs by WST1 dye based colorimetric assayMore data for this Ligand-Target Pair