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SMILES: CC(C)c1ccc(c(Br)c1)-n1c2nc(C)nc(N3CCOCC3)c2sc1=S

InChI Key: InChIKey=IWMUHAYJYVLRHD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076895   
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))		BDBM50076895
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-5-methyl-7-morpholi...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1c2nc(C)nc(N3CCOCC3)c2sc1=S |(17.64,-23.83,;18.67,-22.68,;20.18,-22.98,;18.19,-21.21,;16.66,-20.89,;16.18,-19.45,;17.2,-18.29,;18.71,-18.6,;19.8,-17.51,;19.21,-20.06,;16.72,-16.84,;15.27,-16.37,;13.92,-17.14,;12.58,-16.37,;11.26,-17.14,;12.58,-14.83,;13.92,-14.06,;13.9,-12.52,;12.58,-11.75,;12.57,-10.21,;13.9,-9.44,;15.25,-10.2,;15.25,-11.75,;15.25,-14.83,;16.72,-14.35,;17.64,-15.59,;19.18,-15.59,)|
Show InChI InChI=1S/C19H21BrN4OS2/c1-11(2)13-4-5-15(14(20)10-13)24-18-16(27-19(24)26)17(21-12(3)22-18)23-6-8-25-9-7-23/h4-5,10-11H,6-9H2,1-3H3
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MMDB

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PubMed
 122n/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