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BDBM50116104 CHEMBL66275::[2,5-Dimethyl-3-(2,4,6-trimethyl-phenyl)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine

SMILES: CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12

InChI Key: InChIKey=QJCRRLSRMXLQMY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50116104   
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))		BDBM50116104
PNG
(CHEMBL66275 | [2,5-Dimethyl-3-(2,4,6-trimethyl-phe...)
Show SMILES CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12 |(-4.13,3.59,;-2.82,2.79,;-2.84,1.25,;-1.53,.44,;-.18,1.19,;-.14,2.73,;1.2,3.47,;-1.56,-1.1,;-2.91,-1.83,;-2.94,-3.37,;-4.28,-4.11,;-1.63,-4.18,;-.27,-3.43,;1.2,-3.93,;1.64,-5.4,;3.13,-5.74,;4.18,-4.6,;3.6,-7.21,;2.54,-8.34,;2.99,-9.81,;1.03,-7.99,;.59,-6.52,;-.9,-6.17,;2.13,-2.69,;3.67,-2.73,;1.24,-1.43,;-.23,-1.89,)|
Show InChI InChI=1S/C22H31N5/c1-8-10-27(11-9-2)22-20-19(23-17(6)24-22)21(26(7)25-20)18-15(4)12-14(3)13-16(18)5/h12-13H,8-11H2,1-7H3
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PubMed
 3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 12: 2133-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
More data for this
Ligand-Target Pair