BindingDB logo
myBDB logout

null

SMILES: CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C

InChI Key: InChIKey=NELHKMHPHBYGTL-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29443   
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))		BDBM29443
PNG
(Pyrazolo[1,5-a]-1,3,5-triazine, 12-12)
Show SMILES CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(3.8,11.87,;2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;5.02,6.68,;-1.57,7.83,;-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,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
Show InChI InChI=1S/C22H31N5O3/c1-7-29-12-17(13-30-8-2)25-22-24-16(5)23-21-20(15(4)26-27(21)22)19-10-9-18(28-6)11-14(19)3/h9-11,17H,7-8,12-13H2,1-6H3,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19.3n/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