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SMILES: COc1cc(ccn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

InChI Key: InChIKey=ICMMROMWLJCAMI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50492146   
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


(Human immunodeficiency virus 1)		BDBM50492146
PNG
(CHEMBL2397576)
Show SMILES COc1cc(ccn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N6O4/c1-30-14-17(13-28-30)16-10-19-22-23(35-24(19)27-12-16)21(15-5-7-26-20(11-15)33-2)29-25(32)31(22)8-6-18-4-3-9-34-18/h5,7,10-14,18H,3-4,6,8-9H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair