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BDBM50398577 CHEMBL2179184

SMILES: COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1

InChI Key: InChIKey=NFOXKSLQJXDWGK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398577   
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))		BDBM50398577
PNG
(CHEMBL2179184)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1 |(48.64,-15.26,;47.9,-13.92,;46.36,-13.89,;45.61,-12.54,;44.07,-12.52,;43.33,-11.17,;41.79,-11.15,;40.99,-12.47,;44.11,-9.85,;43.37,-8.51,;44.24,-7.25,;43.32,-6.02,;41.86,-6.53,;40.39,-6.09,;39.84,-4.64,;38.32,-4.39,;37.35,-5.59,;35.91,-6.13,;37.1,-7.11,;40.56,-3.28,;42.1,-3.23,;42.82,-1.88,;42.01,-.57,;40.47,-.62,;39.74,-1.99,;39.5,-7.35,;37.97,-7.38,;37.23,-8.73,;40.44,-8.57,;41.89,-8.07,;45.65,-9.88,;46.44,-8.57,;47.98,-8.59,;46.4,-11.23,)|
Show InChI InChI=1S/C25H33N3O5S/c1-29-14-17-11-20(30-2)22(21(12-17)31-3)19-15-34-25-23(24(32-4)26-28(19)25)27(13-16-5-6-16)18-7-9-33-10-8-18/h11-12,15-16,18H,5-10,13-14H2,1-4H3
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n/an/a 101n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay

J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair