BDBM50480766 2''-Deoxycytidine 5''-Triphosphate::CHEBI:16311::Deoxycytidine Triphosphate

SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1

InChI Key InChIKey=RGWHQCVHVJXOKC-SHYZEUOFSA-N

Data  5 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50480766   

TargetReverse transcriptase(Human immunodeficiency virus 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50480766(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKd:  1.10E+3nMAssay Description:Binding affinity to HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase(Human immunodeficiency virus 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50480766(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKd:  1.14E+3nMAssay Description:Binding affinity to wild type HIV1 LAI reverse transcriptaseMore data for this Ligand-Target Pair
TargetReverse transcriptase protein(Human immunodeficiency virus 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50480766(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKd:  2.49E+3nMAssay Description:Binding affinity to HIV1 LAI reverse transcriptase M184V mutantMore data for this Ligand-Target Pair
TargetReverse transcriptase protein(Human immunodeficiency virus 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50480766(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKd:  2.99E+3nMAssay Description:Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutantMore data for this Ligand-Target Pair
TargetReverse transcriptase protein(Human immunodeficiency virus 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50480766(2''-Deoxycytidine 5''-Triphosphate | CHEBI:16311 |...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKd:  1.23E+3nMAssay Description:Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutantMore data for this Ligand-Target Pair