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SMILES: NC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1

InChI Key: InChIKey=YFMXZHPHSROBEH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500844   
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
Structural capsid protein


(Human immunodeficiency virus 1)		BDBM50500844
PNG
(CHEMBL3770181)
Show SMILES NC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
Show InChI InChI=1S/C20H15N5O/c21-18(26)13-5-7-15(8-6-13)23-20-16-3-1-2-4-17(16)24-19(25-20)14-9-11-22-12-10-14/h1-12H,(H2,21,26)(H,23,24,25)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal GST-tagged HIV1 NL4-3 capsid C-terminal domain (146 to 231 residues) incubated for 2 hrs by alphascreen as...

J Med Chem 59: 545-58 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01089
BindingDB Entry DOI: 10.7270/Q2F192QN
More data for this
Ligand-Target Pair