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SMILES: CCN(CC)c1ccc(OC)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=RATJKEGVDDQIEC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50394522   
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))
BDBM50394522
PNG
(CHEMBL2160168)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(3.29,8.1,;1.96,7.32,;1.97,5.78,;3.31,5.02,;4.64,5.79,;.64,5,;-.7,5.76,;-2.03,4.98,;-2.02,3.44,;-3.35,2.67,;-4.69,3.43,;-.68,2.68,;-.67,1.14,;.67,.38,;2,1.16,;3.34,.4,;1.99,2.7,;.65,3.46,;.68,-1.16,;-.65,-1.94,;-1.99,-1.18,;-3.32,-1.95,;-.64,-3.48,;.7,-4.24,;.71,-5.78,;-.62,-6.56,;-.61,-8.1,;2.03,-3.46,;2.02,-1.92,;3.35,-1.14,;4.69,-1.9,)|
Show InChI InChI=1S/C24H29FN2O4/c1-7-27(8-2)18-9-10-19(29-4)23-16(18)13-17(25)24(26-23)22-20(30-5)11-15(14-28-3)12-21(22)31-6/h9-13H,7-8,14H2,1-6H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50394522
PNG
(CHEMBL2160168)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(3.29,8.1,;1.96,7.32,;1.97,5.78,;3.31,5.02,;4.64,5.79,;.64,5,;-.7,5.76,;-2.03,4.98,;-2.02,3.44,;-3.35,2.67,;-4.69,3.43,;-.68,2.68,;-.67,1.14,;.67,.38,;2,1.16,;3.34,.4,;1.99,2.7,;.65,3.46,;.68,-1.16,;-.65,-1.94,;-1.99,-1.18,;-3.32,-1.95,;-.64,-3.48,;.7,-4.24,;.71,-5.78,;-.62,-6.56,;-.61,-8.1,;2.03,-3.46,;2.02,-1.92,;3.35,-1.14,;4.69,-1.9,)|
Show InChI InChI=1S/C24H29FN2O4/c1-7-27(8-2)18-9-10-19(29-4)23-16(18)13-17(25)24(26-23)22-20(30-5)11-15(14-28-3)12-21(22)31-6/h9-13H,7-8,14H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair