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BDBM50484841 CHEMBL1958481

SMILES: [H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)NC(C)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=IFCWQKXHRGWJIG-NGBUOKPYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484841   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50484841
PNG
(CHEMBL1958481)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)NC(C)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C31H43N3O8S/c1-20(2)17-34(43(38,39)25-12-10-23(40-4)11-13-25)18-29(36)27(14-22-8-6-5-7-9-22)33-31(37)42-24-15-26-28(32-21(3)35)19-41-30(26)16-24/h5-13,20,24,26-30,36H,14-19H2,1-4H3,(H,32,35)(H,33,37)/t24-,26-,27+,28+,29-,30-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 7.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay

Bioorg Med Chem Lett 22: 2308-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.061
BindingDB Entry DOI: 10.7270/Q2B85C0X
More data for this
Ligand-Target Pair