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BDBM50130975 5-Dipropylamino-6-ethyl-2-(2-methoxy-4,6-dimethyl-phenyl)-3-methyl-3H-pyrimidin-4-one::CHEMBL84007

SMILES: CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O

InChI Key: InChIKey=RGTMBVZHQAXNNL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130975   
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))		BDBM50130975
PNG
(5-Dipropylamino-6-ethyl-2-(2-methoxy-4,6-dimethyl-...)
Show SMILES CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O |(-3.17,-2.13,;-1.84,-1.36,;-1.84,.18,;-.51,.95,;-.51,2.49,;.82,3.26,;.82,4.8,;.82,.18,;.82,-1.36,;-.51,-2.13,;-.51,-3.67,;2.15,-2.13,;3.48,-1.36,;4.83,-2.13,;4.81,-3.67,;3.48,-4.44,;6.16,-4.44,;7.49,-3.67,;8.83,-4.44,;7.47,-2.12,;6.14,-1.36,;6.14,.16,;7.47,.96,;3.48,.18,;4.81,.96,;2.15,.95,;2.15,2.49,)|
Show InChI InChI=1S/C22H33N3O2/c1-8-11-25(12-9-2)20-17(10-3)23-21(24(6)22(20)26)19-16(5)13-15(4)14-18(19)27-7/h13-14H,8-12H2,1-7H3
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PubMed
 7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Affinity for Corticotropin releasing factor receptor 1 on IMR-32 (human neuroblastoma) cells by [125I]-sauvagine displacement.

Bioorg Med Chem Lett 13: 2497-500 (2003)


BindingDB Entry DOI: 10.7270/Q2C53K72
More data for this
Ligand-Target Pair