null

SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12

InChI Key InChIKey=GVCHBMCBPBRORW-ONEGZZNKSA-N

PDB links: 7 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50266869   

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 186nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB26HCPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
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(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 350nMAssay Description:Inhibition of HIV1 RT E138K mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 107nMAssay Description:Inhibition of HIV1 RT K103N/Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] i...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 99nMAssay Description:Inhibition of HIV1 RT L100I mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 2.12E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 101nMAssay Description:Inhibition of HIV1 RT in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr b...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 191nMAssay Description:Inhibition of HIV1 RT K103N mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 301nMAssay Description:Inhibition of HIV1 RT Y188L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 106nMAssay Description:Inhibition of HIV1 RT V106A/F227L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] i...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 186nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by whole cell electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 5.92E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 149nMAssay Description:Inhibition of HIV1 RT Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 1.32E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed
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 1A2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50266869(CHEMBL4094163)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NQPPubMed