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SMILES: Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1C#N)N1CC[S+]([O-])CC1

InChI Key: InChIKey=MHRKGSFPESODQT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50478051   
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 protein


(Human immunodeficiency virus 1)		BDBM50478051
PNG
(CHEMBL383375)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1C#N)N1CC[S+]([O-])CC1
Show InChI InChI=1S/C27H24ClN3O4S/c1-18-14-21(31-10-12-36(34)13-11-31)7-8-24(18)30-26(32)17-35-25-9-6-20(28)15-23(25)27(33)22-5-3-2-4-19(22)16-29/h2-9,14-15H,10-13,17H2,1H3,(H,30,32)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 155n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay

Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair