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SMILES: COCC(Cc1ccccc1)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C

InChI Key: InChIKey=JWBCFGCTAKNTSW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152180   
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))		BDBM50152180
PNG
((1-Benzyl-2-methoxy-ethyl)-[3-(6-dimethylamino-4-m...)
Show SMILES COCC(Cc1ccccc1)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.08,3.77,;6.05,2.61,;4.55,2.94,;3.53,1.77,;2.01,2.09,;1.52,3.55,;2.57,4.71,;2.08,6.15,;.57,6.46,;-.46,5.31,;.03,3.89,;4.01,.32,;2.99,-.84,;3.46,-2.29,;2.43,-3.44,;2.92,-4.9,;.94,-3.13,;.45,-1.68,;-.95,-1.05,;-.79,.49,;-1.95,1.49,;.71,.82,;1.48,-.52,;-2.28,-1.83,;-2.28,-3.37,;-3.61,-4.14,;-4.94,-3.37,;-4.94,-1.83,;-3.61,-1.05,;-3.62,.49,;-6.28,-4.14,;-6.28,-5.68,;-7.62,-3.37,)|
Show InChI InChI=1S/C26H32N6O/c1-17-12-23(31(4)5)27-15-22(17)25-19(3)30-32-24(13-18(2)28-26(25)32)29-21(16-33-6)14-20-10-8-7-9-11-20/h7-13,15,21,29H,14,16H2,1-6H3
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Article
PubMed
 6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor

J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair