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BDBM50517396 CHEMBL4586013

SMILES: Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2COCc12)C#N

InChI Key: InChIKey=XCNWYADCNUBLAP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517396   
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)		BDBM50517396
PNG
(CHEMBL4586013)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2COCc12)C#N
Show InChI InChI=1S/C27H28N6O4/c1-17-11-20(13-28)12-18(2)25(17)37-26-23-15-36-16-24(23)30-27(31-26)29-21-7-9-32(10-8-21)14-19-3-5-22(6-4-19)33(34)35/h3-6,11-12,21H,7-10,14-16H2,1-2H3,(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/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