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BDBM3402 2-Butanol deriv. 9::2-[4-(tert-Butylcarbamoyl)phenyl]-2-hydroxybut-3-enyl]-benzoic Acid tert-Butyl Amide::N-tert-butyl-2-[(1E)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxybut-1-en-1-yl]benzamide

SMILES: CC(C)(C)NC(=O)c1ccccc1CC(O)\C=C\c1ccccc1C(=O)NC(C)(C)C

InChI Key: InChIKey=ZMJMEUBMSJAGCT-FOCLMDBBSA-N

Data: 1 Other

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

Found 1 hit for monomerid = 3402   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM3402
PNG
(2-Butanol deriv. 9 | 2-[4-(tert-Butylcarbamoyl)phe...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)\C=C\c1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H34N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-16,20,29H,17H2,1-6H3,(H,27,30)(H,28,31)/b16-15+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair