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BDBM50276839 CHEMBL4170184

SMILES: CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12

InChI Key: InChIKey=PYXDHSORGGMBPL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276839   
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))		BDBM50276839
PNG
(CHEMBL4170184)
Show SMILES CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(16.61,-2.72,;16.61,-4.26,;17.95,-5.02,;19.28,-4.25,;19.28,-2.71,;17.95,-6.56,;16.63,-7.33,;16.62,-8.88,;15.29,-9.65,;17.96,-9.65,;19.3,-8.88,;20.78,-9.35,;20.77,-10.89,;19.42,-11.65,;18.1,-10.86,;19.41,-13.18,;20.74,-13.96,;20.73,-15.5,;22.08,-13.2,;22.09,-11.66,;23.42,-10.9,;21.68,-8.09,;23.22,-8.08,;20.76,-6.84,;19.29,-7.33,)|
Show InChI InChI=1S/C19H25N5S/c1-7-23(8-2)17-16-18(22-14(6)21-17)24(19(20)25-16)15-12(4)9-11(3)10-13(15)5/h9-10,20H,7-8H2,1-6H3
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Article
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n/an/a 891n/an/an/an/an/an/a



South Dakota State University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method

Eur J Med Chem 138: 900-908 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.016
BindingDB Entry DOI: 10.7270/Q2R78HRZ
More data for this
Ligand-Target Pair