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BDBM89792 1-amino-3-(4-ethoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile::1-amino-3-p-phenetyl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile::1-azanyl-3-(4-ethoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile::MLS000107853::SMR000103817::cid_627763

SMILES: CCOc1ccc(cc1)C1C(C#N)C(=N)N2C(Sc3ccccc23)=C1C#N

InChI Key: InChIKey=JURKBYHAYQLFQN-UHFFFAOYSA-N

Data: 1 EC50

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

Found 1 hit for monomerid = 89792   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM89792
PNG
(1-amino-3-(4-ethoxyphenyl)-3H-pyrido[2,1-b][1,3]be...)
Show SMILES CCOc1ccc(cc1)C1C(C#N)C(=N)N2C(Sc3ccccc23)=C1C#N
Show InChI InChI=1S/C21H16N4OS/c1-2-26-14-9-7-13(8-10-14)19-15(11-22)20(24)25-17-5-3-4-6-18(17)27-21(25)16(19)12-23/h3-10,15,19,24H,2H2,1H3
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Similars

Article
PCBioAssay
n/an/an/an/a 8.06E+3n/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