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SMILES: C[C@H]1Oc2c3[C@@H]4[C@H](Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1)C4(C)C

InChI Key: InChIKey=NDJILOHYAHLIPO-OVTDJOJUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029994   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029994
PNG
(4-hydroxy-2,3,10,10-tetramethyl-8-phenyl-(2R,3S,4S...)
Show SMILES C[C@H]1Oc2c3[C@@H]4[C@H](Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1)C4(C)C
Show InChI InChI=1S/C25H24O5/c1-11-12(2)28-23-17-19-24(25(19,3)4)30-21(17)16-14(13-8-6-5-7-9-13)10-15(26)29-22(16)18(23)20(11)27/h5-12,19-20,24,27H,1-4H3/t11-,12+,19+,20-,24-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair