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BDBM50192294 1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-(3-hydroxy-propenyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL379255

SMILES: Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O

InChI Key: InChIKey=PPSMYMVWZXRNAT-ZOZFQSSASA-N

Data: 2 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50192294   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192294
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |w:22.22|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-15-30(24(33)29-22(17)32)23-21(38-42(10,11)26(5,6)7)27(19(37-23)16-36-41(8,9)25(2,3)4)20(28)18(13-12-14-31)40(34,35)39-27/h13,15,19,21,23,28,31H,12,14,16H2,1-11H3,(H,29,32,33)/t19-,21+,23-,27+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
BindingDB Entry DOI: 10.7270/Q2GH9HKC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192294
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |w:22.22|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-15-30(24(33)29-22(17)32)23-21(38-42(10,11)26(5,6)7)27(19(37-23)16-36-41(8,9)25(2,3)4)20(28)18(13-12-14-31)40(34,35)39-27/h13,15,19,21,23,28,31H,12,14,16H2,1-11H3,(H,29,32,33)/t19-,21+,23-,27+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>2.00E+3n/an/an/an/a



Instituto de Qu£mica M£dica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity in CEM cell culture by 50%.


J Med Chem 45: 3934-45 (2002)


BindingDB Entry DOI: 10.7270/Q2639QXQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192294
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |w:22.22|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-15-30(24(33)29-22(17)32)23-21(38-42(10,11)26(5,6)7)27(19(37-23)16-36-41(8,9)25(2,3)4)20(28)18(13-12-14-31)40(34,35)39-27/h13,15,19,21,23,28,31H,12,14,16H2,1-11H3,(H,29,32,33)/t19-,21+,23-,27+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 6.60E+3n/an/an/an/a



Instituto de Qu£mica M£dica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity in MT-4 cell culture by 50%.


J Med Chem 45: 3934-45 (2002)


BindingDB Entry DOI: 10.7270/Q2639QXQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192294
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C(=CCCO)C3=N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |w:22.22|
Show InChI InChI=1S/C27H47N3O9SSi2/c1-17-15-30(24(33)29-22(17)32)23-21(38-42(10,11)26(5,6)7)27(19(37-23)16-36-41(8,9)25(2,3)4)20(28)18(13-12-14-31)40(34,35)39-27/h13,15,19,21,23,28,31H,12,14,16H2,1-11H3,(H,29,32,33)/t19-,21+,23-,27+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity


J Med Chem 49: 4834-41 (2006)


Article DOI: 10.1021/jm0604575
BindingDB Entry DOI: 10.7270/Q2GH9HKC
More data for this
Ligand-Target Pair