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BDBM90222 (2Z)-2-[4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile;hydrobromide::(2Z)-2-[4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethanenitrile;hydrobromide::(2Z)-2-[4-(4-fluorophenyl)-3-methyl-2-thiazolylidene]-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]acetonitrile;hydrobromide::(2Z)-2-[4-(4-fluorophenyl)-3-methyl-4-thiazolin-2-ylidene]-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acetonitrile;hydrobromide::MLS000391956::SMR000260989::cid_15944949

SMILES: CN1\C(SC=C1c1ccc(F)cc1)=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1

InChI Key: InChIKey=LMPJHCKNAFPGOT-ATJXCDBQSA-N

Data: 1 EC50

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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 = 90222   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90222
PNG
((2Z)-2-[4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-...)
Show SMILES CN1\C(SC=C1c1ccc(F)cc1)=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1
Show InChI InChI=1S/C24H21FN6OS/c1-29-21(17-7-9-18(25)10-8-17)16-33-23(29)20(15-26)22-27-28-24(30-11-13-32-14-12-30)31(22)19-5-3-2-4-6-19/h2-10,16H,11-14H2,1H3/b23-20-
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Article
PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair