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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 reverse transcriptase' and Ligand = 'BDBM50002468'   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002468
PNG
(TMPNPPthymidine 5'-[alpha,beta-imido]triphosphate)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H16N3O13P3/c1-4-3-12(9(15)10-7(4)14)6-2-5(13)8(23-6)24-26(16,17)11-27(18,19)25-28(20,21)22/h3,5-6,8,13H,2H2,1H3,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/p-4/t5-,6-,8-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).


J Med Chem 35: 1938-41 (1992)


Article DOI: 10.1021/jm00089a002
BindingDB Entry DOI: 10.7270/Q25B0336
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002468
PNG
(TMPNPPthymidine 5'-[alpha,beta-imido]triphosphate)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H16N3O13P3/c1-4-3-12(9(15)10-7(4)14)6-2-5(13)8(23-6)24-26(16,17)11-27(18,19)25-28(20,21)22/h3,5-6,8,13H,2H2,1H3,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/p-4/t5-,6-,8-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).


J Med Chem 35: 1938-41 (1992)


Article DOI: 10.1021/jm00089a002
BindingDB Entry DOI: 10.7270/Q25B0336
More data for this
Ligand-Target Pair