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SMILES: CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(Cl)cc1Cl)c2=O

InChI Key: InChIKey=UTMYMIAJAQWRHC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171322   
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))		BDBM50171322
PNG
(1-(2,4-Dichloro-phenyl)-7-methyl-5-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(Cl)cc1Cl)c2=O |(2.62,5.41,;2.62,3.85,;1.29,3.08,;1.27,1.53,;-.06,.76,;-1.39,1.53,;-2.73,.76,;2.62,.75,;3.96,1.52,;5.29,.75,;5.28,-.79,;3.95,-1.57,;2.62,-.8,;1.29,-1.57,;1.29,-3.12,;-.2,-3.56,;3.14,-4.12,;4.28,-3.08,;5.82,-3.23,;6.78,-4.44,;6.22,-5.86,;7.2,-7.06,;8.71,-6.83,;9.68,-8.02,;9.26,-5.4,;8.3,-4.21,;8.86,-2.76,;6.43,-1.82,;7.94,-1.5,)|
Show InChI InChI=1S/C22H26Cl2N4O/c1-4-6-16(7-5-2)26-10-11-27-20-19(26)12-14(3)25-21(20)28(22(27)29)18-9-8-15(23)13-17(18)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3
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Similars
Article
PubMed
 5.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells

J Med Chem 48: 5104-7 (2005)


Article DOI: 10.1021/jm050384+
BindingDB Entry DOI: 10.7270/Q2610ZVM
More data for this
Ligand-Target Pair