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SMILES: CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12

InChI Key: InChIKey=GVAHQUYUMYBUDG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076893   
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))		BDBM50076893
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(cyclopropylmethy...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12 |(16.46,-9.59,;15.12,-10.36,;15.13,-11.91,;13.8,-12.68,;12.46,-11.92,;12.46,-10.39,;13.22,-9.05,;11.69,-9.05,;13.8,-14.21,;12.48,-14.99,;12.48,-16.52,;11.14,-17.3,;13.8,-17.3,;15.15,-16.52,;16.62,-16.98,;17.1,-18.44,;16.08,-19.58,;16.55,-21.04,;18.06,-21.34,;19.08,-20.19,;18.59,-18.75,;19.67,-17.65,;18.54,-22.81,;17.52,-23.95,;20.06,-23.12,;17.52,-15.74,;19.05,-15.73,;16.6,-14.5,;15.13,-14.97,)|
Show InChI InChI=1S/C22H27BrN4S2/c1-5-10-26(12-15-6-7-15)20-19-21(25-14(4)24-20)27(22(28)29-19)18-9-8-16(13(2)3)11-17(18)23/h8-9,11,13,15H,5-7,10,12H2,1-4H3
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PubMed
 13n/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