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SMILES: COc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C)no4)cc(C)nc23)c(C)c1

InChI Key: InChIKey=VLXQXCJWWFDHJX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417506   
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))		BDBM50417506
PNG
(CHEMBL1287966)
Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C)no4)cc(C)nc23)c(C)c1 |(23.42,-39.36,;21.87,-39.32,;21.13,-37.97,;19.59,-37.92,;18.86,-36.59,;19.65,-35.27,;18.91,-33.92,;19.83,-32.69,;21.37,-32.69,;18.93,-31.43,;17.46,-31.89,;16.13,-31.12,;16.14,-29.57,;14.82,-28.8,;14.83,-27.26,;13.49,-29.55,;12.28,-28.6,;10.8,-29.02,;9.95,-27.74,;8.42,-27.68,;10.9,-26.54,;12.34,-27.07,;14.78,-31.88,;14.78,-33.42,;13.44,-34.19,;16.11,-34.2,;17.45,-33.43,;21.19,-35.3,;21.99,-33.98,;21.94,-36.66,)|
Show InChI InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)26-28-19(10-13(2)24-22(21)28)23-14(3)11-20-25-16(5)27-30-20/h7-10,14,23H,11H2,1-6H3
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MMDB

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Article
PubMed
 31.6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor

Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair