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SMILES: Cc1nc2cc(ccc2n1C)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

InChI Key: InChIKey=CCCGMNJZPJSHEU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50492153   
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)		BDBM50492153
PNG
(CHEMBL2397563)
Show SMILES Cc1nc2cc(ccc2n1C)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C28H27N7O3/c1-16-31-22-12-17(6-7-23(22)34(16)3)24-26-25(35(28(36)32-24)9-8-20-5-4-10-37-20)21-11-18(13-29-27(21)38-26)19-14-30-33(2)15-19/h6-7,11-15,20H,4-5,8-10H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/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