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SMILES: CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC

InChI Key: InChIKey=AMYBMROKOODFQT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29456   
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


(Rattus norvegicus (rat))		BDBM29456
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-25)
Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
Show InChI InChI=1S/C22H31N5O2/c1-8-10-11-26(9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h12-13H,8-11H2,1-7H3
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MMDB

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Similars
Article
PubMed
n/an/a 1.72n/an/an/an/a7.223



Bristol-Myers Squibb Company



Assay Description
Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay so...

J Med Chem 52: 3073-83 (2009)


Article DOI: 10.1021/jm9000242
BindingDB Entry DOI: 10.7270/Q23R0R6X
More data for this
Ligand-Target Pair