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BDBM50061534 4-{(S)-1-[(S)-2-Dimethylcarbamoyl-1-(3,3,3-trifluoro-1-methyl-2-oxo-propylcarbamoyl)-ethylcarbamoyl]-2,2-dimethyl-propylcarbamoyl}-butyric acid::CHEMBL134222

SMILES: CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CCCC(O)=O)C(C)(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=LSSZMSBAZDQEGD-OZGRPGILSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061534   
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
Genome polyprotein


(Human rhinovirus B)		BDBM50061534
PNG
(4-{(S)-1-[(S)-2-Dimethylcarbamoyl-1-(3,3,3-trifluo...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CCCC(O)=O)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H33F3N4O7/c1-11(17(33)21(22,23)24)25-18(34)12(10-14(30)28(5)6)26-19(35)16(20(2,3)4)27-13(29)8-7-9-15(31)32/h11-12,16H,7-10H2,1-6H3,(H,25,34)(H,26,35)(H,27,29)(H,31,32)/t11?,12-,16+/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease

J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair