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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50044905'   
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)		BDBM50044905
PNG
((10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,1...)
Show SMILES CCCCCCCCC1CCC2C3CC=C4C[C@@H](CCC4(C)C3CCC12C)OCC(=O)OCC1OC(C=C1)n1cc(C)c(=O)[nH]c1=O |c:40,t:14|
Show InChI InChI=1S/C39H58N2O6/c1-5-6-7-8-9-10-11-27-13-16-32-31-15-12-28-22-29(18-20-39(28,4)33(31)19-21-38(27,32)3)45-25-35(42)46-24-30-14-17-34(47-30)41-23-26(2)36(43)40-37(41)44/h12,14,17,23,27,29-34H,5-11,13,15-16,18-22,24-25H2,1-4H3,(H,40,43,44)/t27?,29-,30?,31?,32?,33?,34?,38?,39?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/an/an/a 20n/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.

J Med Chem 36: 826-30 (1993)


BindingDB Entry DOI: 10.7270/Q2WW7JBD
More data for this
Ligand-Target Pair