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BDBM5685 (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide::(alphaS)-N-[5-[[[5-tert-Butyl-2-oxazolyl]methyl]thio]-2-thiazolyl]-alpha-methylbenzeneacetamide::2-amino-5-thio-substituted thiazole 33

SMILES: C[C@H](C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1)c1ccccc1

InChI Key: InChIKey=FIZSPBCJAWUURL-ZDUSSCGKSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 5685   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM5685
PNG
((2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]s...)
Show SMILES C[C@H](C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S2/c1-13(14-8-6-5-7-9-14)18(24)23-19-22-11-17(27-19)26-12-16-21-10-15(25-16)20(2,3)4/h5-11,13H,12H2,1-4H3,(H,22,23,24)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm061381f
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair