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SMILES: CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)sc12

InChI Key: InChIKey=JSQBYUFYESPKCY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076898   
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))		BDBM50076898
PNG
(7-(Cyclopropylmethyl-propyl-amino)-5-methyl-3-(2,4...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)sc12 |(16.68,-10.17,;15.34,-10.93,;15.36,-12.48,;14.02,-13.25,;12.68,-12.49,;12.68,-10.96,;13.43,-9.63,;11.91,-9.63,;14.02,-14.78,;12.7,-15.57,;12.7,-17.11,;11.37,-17.87,;14.02,-17.87,;15.36,-17.1,;16.82,-17.55,;17.32,-19.02,;18.81,-19.32,;19.81,-18.16,;19.3,-20.77,;18.27,-21.91,;18.76,-23.38,;16.76,-21.62,;16.28,-20.16,;14.78,-19.84,;17.73,-16.31,;19.27,-16.3,;16.82,-15.07,;15.36,-15.55,)|
Show InChI InChI=1S/C22H28N4OS/c1-6-9-25(12-17-7-8-17)20-19-21(24-16(5)23-20)26(22(27)28-19)18-14(3)10-13(2)11-15(18)4/h10-11,17H,6-9,12H2,1-5H3
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MMDB

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PubMed
 16n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human Corticotropin releasing factor receptor 1 expressed in HEK 293E cells using [125I]-TYR-oCRH

Bioorg Med Chem Lett 9: 1185-8 (1999)


BindingDB Entry DOI: 10.7270/Q24M93Q4
More data for this
Ligand-Target Pair