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BDBM29442 CHEMBL524616::Pyrazolo[1,5-a]-1,3,5-triazine, 12-11

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

InChI Key: InChIKey=XOPNJTADGPQJEJ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 29442   
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))
BDBM29442
PNG
(CHEMBL524616 | Pyrazolo[1,5-a]-1,3,5-triazine, 12-...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(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,;-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/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells


Bioorg Med Chem Lett 18: 4486-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.063
BindingDB Entry DOI: 10.7270/Q2NG4RJ4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM29442
PNG
(CHEMBL524616 | Pyrazolo[1,5-a]-1,3,5-triazine, 12-...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(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,;-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/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23)
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PC cid
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Article
PubMed
n/an/a 9.70n/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