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SMILES: CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3cc(O)ccc23)C1=O)C(F)(F)F

InChI Key: InChIKey=SFSAADWACSNSGA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50491658   
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)		BDBM50491658
PNG
(CHEMBL2387167)
Show SMILES CCN1c2ccc(cc2N(c2ccccc2)C(=O)C2(CCc3cc(O)ccc23)C1=O)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O3/c1-2-30-21-11-8-17(26(27,28)29)15-22(21)31(18-6-4-3-5-7-18)24(34)25(23(30)33)13-12-16-14-19(32)9-10-20(16)25/h3-11,14-15,32H,2,12-13H2,1H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay

Bioorg Med Chem Lett 23: 3396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.073
BindingDB Entry DOI: 10.7270/Q2GX4FGF
More data for this
Ligand-Target Pair