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BDBM50517410 CHEMBL4464437

SMILES: Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2CCCc12)C#N

InChI Key: InChIKey=FKOIZIQMOBSDJT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517410   
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)		BDBM50517410
PNG
(CHEMBL4464437)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2CCCc12)C#N
Show InChI InChI=1S/C29H32N6O2/c1-18-14-21(16-30)15-19(2)26(18)37-28-24-4-3-5-25(24)33-29(34-28)32-23-10-12-35(13-11-23)17-20-6-8-22(9-7-20)27(31)36/h6-9,14-15,23H,3-5,10-13,17H2,1-2H3,(H2,31,36)(H,32,33,34)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA

J Med Chem 62: 1484-1501 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01656
More data for this
Ligand-Target Pair