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SMILES: COCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12

InChI Key: InChIKey=PAQINLLLVKZZKM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076623   
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))		BDBM50076623
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-[cyclopropylmethy...)
Show SMILES COCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(.52,2.98,;.52,1.44,;1.87,.67,;1.87,-.87,;3.22,-1.63,;4.56,-.86,;4.55,.68,;5.32,2.01,;3.78,2.01,;3.23,-3.17,;1.9,-3.94,;1.9,-5.49,;.56,-6.26,;3.23,-6.26,;4.56,-5.48,;6.04,-5.95,;6.52,-7.4,;5.49,-8.55,;5.98,-10.02,;7.49,-10.32,;8.52,-9.17,;8.03,-7.71,;9.04,-6.56,;7.98,-11.79,;9.48,-12.09,;6.95,-12.93,;6.94,-4.7,;8.48,-4.69,;6.03,-3.45,;6.49,-1.99,;4.56,-3.94,)|
Show InChI InChI=1S/C23H30BrN5O2/c1-14(2)17-8-9-19(18(24)12-17)29-22-20(27(4)23(29)30)21(25-15(3)26-22)28(10-11-31-5)13-16-6-7-16/h8-9,12,14,16H,6-7,10-11,13H2,1-5H3
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 12n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...

Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair