BDBM50366817 Epivir

SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1

InChI Key InChIKey=JTEGQNOMFQHVDC-NKWVEPMBSA-N

Data  7 IC50  1 Kd  4 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50366817   

TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
The University of Georgia

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataEC50:  42nMAssay Description:In vitro antiviral activity against HIV-1 Reverse transcriptase wild typeMore data for this Ligand-Target Pair
TargetAlbumin(Homo sapiens (Human))
Mercer University

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataKd:  0.440nMAssay Description:Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysisMore data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
The University of Georgia

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataEC50: >5.00E+4nMAssay Description:In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutantMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
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
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
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
TargetCapsid protein(Hepatitis B virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataEC50:  370nMAssay Description:Inhibition of capsid protein in HBV infected in human HepDES19 cells assessed as inhibition of viral replication incubated for 3 days by strand prefe...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
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
TargetCapsid protein(Hepatitis B virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...More data for this Ligand-Target Pair
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataIC50: 5.42E+4nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
TargetCapsid protein(Hepatitis B virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of capsid protein in Hepatitis B virus infected in human HepG2.2.15 cells assessed as reduction in viral DNA level at 4 uM supplemented wi...More data for this Ligand-Target Pair
TargetCapsid protein(Hepatitis B virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of capsid protein in lamivudine/entecavir-resistant Hepatitis B virus harboring rtL180M/rtM204V/rt184L mutant infected in human HepG2.2.15...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50366817(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Affinity DataIC50: 1.33E+5nMAssay 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