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BDBM50130973 5-Dipropylamino-3,6-diethyl-2-(2-methoxy-4,6-dimethyl-phenyl)-3H-pyrimidin-4-one::CHEMBL313479

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

InChI Key: InChIKey=WCQJNSSUUQDQQR-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130973   
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))
BDBM50130973
PNG
(5-Dipropylamino-3,6-diethyl-2-(2-methoxy-4,6-dimet...)
Show SMILES CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(CC)c1=O |(.82,4.8,;.82,3.26,;-.51,2.49,;-.51,.95,;-1.84,.18,;-1.84,-1.36,;-3.17,-2.13,;.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,;6.16,.2,;7.47,.96,;3.48,.18,;4.81,.96,;4.81,2.5,;2.15,.95,;2.15,2.49,)|
Show InChI InChI=1S/C23H35N3O2/c1-8-12-25(13-9-2)21-18(10-3)24-22(26(11-4)23(21)27)20-17(6)14-16(5)15-19(20)28-7/h14-15H,8-13H2,1-7H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
4n/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