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BDBM50061538 (S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-3-methyl-butyrylamino]-N*4*,N*4*-dimethyl-N*1*-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide::CHEMBL435000

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

InChI Key: InChIKey=QILUXHQIIPSEJB-FTXSGDFPSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061538   
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
Human rhinovirus A protease


(Human rhinovirus B)		BDBM50061538
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H36F3N5O6/c1-10(2)16(27-13(6)31)21(36)29-17(11(3)4)20(35)28-14(9-15(32)30(7)8)19(34)26-12(5)18(33)22(23,24)25/h10-12,14,16-17H,9H2,1-8H3,(H,26,34)(H,27,31)(H,28,35)(H,29,36)/t12?,14-,16-,17-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+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