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SMILES: CNc1ccc(cn1)-c1nc(=O)n(CCC2CC(C)(C)CO2)c2c3cc(cnc3oc12)-c1cnn(C)c1

InChI Key: InChIKey=SRXZTYXSCXTZAL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50492161   
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)		BDBM50492161
PNG
(CHEMBL2396665)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CC(C)(C)CO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H29N7O3/c1-27(2)10-19(36-15-27)7-8-34-23-20-9-17(18-13-31-33(4)14-18)12-30-25(20)37-24(23)22(32-26(34)35)16-5-6-21(28-3)29-11-16/h5-6,9,11-14,19H,7-8,10,15H2,1-4H3,(H,28,29)
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20n/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