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BDBM50498849 CHEMBL3629625

SMILES: CCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(=O)OC(C)(C)C

InChI Key: InChIKey=FEWZDGZHYHUBEB-JOCHJYFZSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498849   
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))		BDBM50498849
PNG
(CHEMBL3629625)
Show SMILES CCCCCCNC(=O)CN1c2cc(ccc2C(C)=N[C@H](CC(C)C)C1=O)C(=O)OC(C)(C)C |r,c:19|
Show InChI InChI=1S/C27H41N3O4/c1-8-9-10-11-14-28-24(31)17-30-23-16-20(26(33)34-27(5,6)7)12-13-21(23)19(4)29-22(25(30)32)15-18(2)3/h12-13,16,18,22H,8-11,14-15,17H2,1-7H3,(H,28,31)/t22-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair