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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 = 'BDBM50193566'   
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)		BDBM50193566
PNG
(CHEMBL378646 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@@H](C[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O)OCc1ccccc1 |c:43|
Show InChI InChI=1S/C44H72N6O11SSi2/c1-28(2)35(46)39(53)49-24-31(57-25-30-18-15-14-16-19-30)22-32(49)37(51)47-20-17-21-48-38(52)29(3)23-50(41(48)54)40-36(60-64(12,13)43(7,8)9)44(33(45)27-62(55,56)61-44)34(59-40)26-58-63(10,11)42(4,5)6/h14-16,18-19,23,27-28,31-32,34-36,40H,17,20-22,24-26,45-46H2,1-13H3,(H,47,51)/t31-,32+,34?,35+,36?,40?,44?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase

J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
BindingDB Entry DOI: 10.7270/Q2M32VDQ
More data for this
Ligand-Target Pair