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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50409567'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50409567
PNG
(CHEMBL445582)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C(=C3N)c3ccsc3)C2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O |c:21|
Show InChI InChI=1S/C29H47N3O8S2Si2/c1-18-15-32(26(34)31(8)24(18)33)25-23(39-44(11,12)28(5,6)7)29(20(38-25)16-37-43(9,10)27(2,3)4)22(30)21(42(35,36)40-29)19-13-14-41-17-19/h13-15,17,20,23,25H,16,30H2,1-12H3
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50409567
PNG
(CHEMBL445582)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C(=C3N)c3ccsc3)C2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O |c:21|
Show InChI InChI=1S/C29H47N3O8S2Si2/c1-18-15-32(26(34)31(8)24(18)33)25-23(39-44(11,12)28(5,6)7)29(20(38-25)16-37-43(9,10)27(2,3)4)22(30)21(42(35,36)40-29)19-13-14-41-17-19/h13-15,17,20,23,25H,16,30H2,1-12H3
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/an/an/a 2.30E+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