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BDBM50222985 3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine::CHEMBL398531

SMILES: CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF

InChI Key: InChIKey=CZDYVVMDBOUYST-JTHBVZDNSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50222985   
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))
BDBM50222985
PNG
(3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihy...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
Show InChI InChI=1S/C25H29FN4O2/c1-4-19-24(28-20(5-2)25(29-19)32-22-14-16(3)10-12-27-22)30-23-18-9-7-6-8-17(18)15-21(23)31-13-11-26/h6-10,12,14,21,23H,4-5,11,13,15H2,1-3H3,(H,28,30)/t21-,23+/m0/s1
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222985
PNG
(3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihy...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
Show InChI InChI=1S/C25H29FN4O2/c1-4-19-24(28-20(5-2)25(29-19)32-22-14-16(3)10-12-27-22)30-23-18-9-7-6-8-17(18)15-21(23)31-13-11-26/h6-10,12,14,21,23H,4-5,11,13,15H2,1-3H3,(H,28,30)/t21-,23+/m0/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair