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BDBM50272695 3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl-8-(pentan-3-yl)imidazo[1,2-b]pyridazine::CHEMBL498311

SMILES: CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1

InChI Key: InChIKey=PHKJVUUMSPASRG-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50272695   
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 receptor 1


(Homo sapiens (Human))
BDBM50272695
PNG
(3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...)
Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)|
Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells


Bioorg Med Chem Lett 18: 4486-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.063
BindingDB Entry DOI: 10.7270/Q2NG4RJ4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50272695
PNG
(3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...)
Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)|
Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3
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PubMed
0.200n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair