BDBM496902 CVD-0018409::PF-07321332::US11351149, Example 13::US11753373, Compound D-1-d::US20230391736, Example PF-07321332::US20240208970, Compound PF-07321332::WO2021250648, Example 13::science.abl4784, 6
SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
InChI Key InChIKey=LIENCHBZNNMNKG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 53 hits for monomerid = 496902
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human Cathepsin LMore data for this Ligand-Target Pair
Affinity DataIC50: 14nMAssay Description:Inhibition of SARS CoV-2 main protease preincubated for 30 min followed by substrate addition and measured after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Inhibition of full length SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using Dacyl-KTSAVLQSGFRKME-Edans fluorogenic peptide as su...More data for this Ligand-Target Pair
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant SARS-CoV-2 3CL protease using Dabcyl-TSAVLQSGFRK-Glu-EDANS fluorogenic peptide as substrate pre-incubated for 30 mins follo...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Calibr At Scripps Research Institute
Curated by ChEMBL
Calibr At Scripps Research Institute
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 4.64E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human Cathepsin BMore data for this Ligand-Target Pair
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
Affinity DataEC50: 75nMAssay Description:VeroE6 cells were sorted for ACE2 expression by flow cytometry to generate clonal VeroE6 cells that are enriched for ACE2 surface expression. The ACE...More data for this Ligand-Target Pair
Affinity DataIC50: 1.46E+4nMAssay Description:Inhibition of human Cathepsin L2More data for this Ligand-Target Pair
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human Cathepsin SMore data for this Ligand-Target Pair
Affinity DataIC50: 19nMAssay Description:Inhibition of SARS-CoV-2 Main proteaseMore data for this Ligand-Target Pair
Affinity DataIC50: 16nMAssay Description:Inhibition of untagged SARS-CoV-2 JPN/TY/WK-521 Main protease using FRET-based UIVT3 as substrate by continuous fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibition of recombinant hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate...More data for this Ligand-Target Pair
Affinity DataIC50: 340nMAssay Description:Inhibition of hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate measured af...More data for this Ligand-Target Pair
Affinity DataIC50: 760nMAssay Description:Inhibition of hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate preincubate...More data for this Ligand-Target Pair
Affinity DataIC50: 90nMAssay Description:Inhibition of SARS CoV-2 MPro using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition measured for 1...More data for this Ligand-Target Pair
Affinity DataIC50: 5.70E+3nMAssay Description:It was performed in 20 mM Tris, 50 mM NaCl and 0.1 mM EDTA (Merck KGaA, Darmstadt, Germany), pH 7.5 at room temperature. Compounds were transferred w...More data for this Ligand-Target Pair
Affinity DataIC50: 51nMAssay Description:Inhibition of SARS-CoV-2 3CLProMore data for this Ligand-Target Pair
Affinity DataIC50: 3.10nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 78nMAssay Description:Inhibition of full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using fluorogenic MCA-AVLQSGFR-Lys (Dnp)...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Affinity DataEC50: 75nMAssay Description:The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...More data for this Ligand-Target Pair
Affinity DataIC50: 47nMAssay Description:The inhibitory activity of the compounds against SARS-CoV-2 3CLpro was determined by fluorescence resonance energy transfer technique. A suitable amo...More data for this Ligand-Target Pair
Affinity DataIC50: 0.790nMAssay Description:Inhibition of recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli using Ac-Abu-Tle-Leu-Gln-MCA as fluorogenic substrate preincuba...More data for this Ligand-Target Pair
Affinity DataIC50: 66nMAssay Description:Inhibition of His/SUMO tagged SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly...More data for this Ligand-Target Pair
Affinity DataEC50: 3.40E+3nMAssay Description:Inhibition of eGFP fused SARS-CoV2 main protease transfected in HEK293T/17 cells incubated for 72 hrs by fluorescence based flow cytometry analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 75nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorescent substrate preincubated for 10 mins followed by substrate ad...More data for this Ligand-Target Pair
Affinity DataIC50: 6.30nMAssay Description:Mpro activity was measured according to the manufacturer's protocol (BPS Biosciences, cat #78042-2) in 384-well plates. The included recombinant un-t...More data for this Ligand-Target Pair
Affinity DataIC50: 31nMAssay Description:Inhibition of full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) cells using (DABCYL)KTSAVLQSGFRKM(Glu)(EDANS) peptide as substra...More data for this Ligand-Target Pair
Affinity DataIC50: 145nMAssay Description:Inhibition of full length C terminal His-tagged Human coronavirus 229E 3CLpro expressed in Escherichia coli Rosetta (DE3) cells using (DABCYL)KTSAVLQ...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat. no. 784900) using an Echo 555 acoustic dispenser, and dimethyl sulfoxide ...More data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:Inhibition of wild type SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate prein...More data for this Ligand-Target Pair
Affinity DataIC50: 54nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 fluorogenic peptide as substrate incubated for 30 mins and measured by FRET...More data for this Ligand-Target Pair
Affinity DataIC50: 92nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 30 mins followed by substrate addition and m...More data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Inhibition of SARS CoV-2 main proteaseMore data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 60 mins by FRET bas...More data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Binding affinity to C-terminal His6-tagged recombinant SARS-CoV-2 MPro assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate assessed as inhibition constant measured for 10 mins by FRET assayMore data for this Ligand-Target Pair
Affinity DataKi: 3.10nMAssay Description:Inhibition of wild type SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using DABCYL-KTSAVLQ1SGFRKM...More data for this Ligand-Target Pair
Affinity DataKi: 3.10nMAssay Description:Inhibition of SARS-CoV-2 3CL protease assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 3.10nMAssay Description:Binding affinity of SARS-Cov-2 M pro expressed in Escherichia coli cells BL21(DE3) assessed as inhibition constant preincubated for 30 mins followed ...More data for this Ligand-Target Pair
Affinity DataKi: 3.10nMAssay Description:Binding affinity to SARS-CoV-2 MPro assessed as inhibition constantMore data for this Ligand-Target Pair