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SMILES: COCCN(CC(C)C)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=HAWIDCANNJBIHK-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 = 50394517   
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))
BDBM50394517
PNG
(CHEMBL2160173)
Show SMILES COCCN(CC(C)C)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(1.41,9.22,;.07,8.47,;.05,6.93,;1.37,6.14,;1.35,4.6,;2.68,3.82,;4.02,4.57,;5.34,3.78,;4.04,6.11,;.01,3.85,;-1.31,4.64,;-2.66,3.88,;-2.68,2.34,;-4.02,1.59,;-5.34,2.38,;-1.35,1.56,;-1.37,.02,;-.05,-.77,;1.29,-.02,;2.62,-.8,;1.31,1.52,;-.01,2.31,;-.07,-2.31,;-1.41,-3.06,;-2.74,-2.28,;-4.08,-3.03,;-1.43,-4.6,;-.11,-5.39,;-.13,-6.93,;-1.47,-7.68,;-1.49,-9.22,;1.24,-4.64,;1.25,-3.1,;2.6,-2.34,;3.92,-3.13,)|
Show InChI InChI=1S/C28H38N2O5/c1-18(2)16-30(11-12-31-4)22-9-10-23(33-6)28-21(22)13-19(3)27(29-28)26-24(34-7)14-20(17-32-5)15-25(26)35-8/h9-10,13-15,18H,11-12,16-17H2,1-8H3
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PC cid
PC sid
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Article
PubMed
n/an/a 156n/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))
BDBM50394517
PNG
(CHEMBL2160173)
Show SMILES COCCN(CC(C)C)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(1.41,9.22,;.07,8.47,;.05,6.93,;1.37,6.14,;1.35,4.6,;2.68,3.82,;4.02,4.57,;5.34,3.78,;4.04,6.11,;.01,3.85,;-1.31,4.64,;-2.66,3.88,;-2.68,2.34,;-4.02,1.59,;-5.34,2.38,;-1.35,1.56,;-1.37,.02,;-.05,-.77,;1.29,-.02,;2.62,-.8,;1.31,1.52,;-.01,2.31,;-.07,-2.31,;-1.41,-3.06,;-2.74,-2.28,;-4.08,-3.03,;-1.43,-4.6,;-.11,-5.39,;-.13,-6.93,;-1.47,-7.68,;-1.49,-9.22,;1.24,-4.64,;1.25,-3.1,;2.6,-2.34,;3.92,-3.13,)|
Show InChI InChI=1S/C28H38N2O5/c1-18(2)16-30(11-12-31-4)22-9-10-23(33-6)28-21(22)13-19(3)27(29-28)26-24(34-7)14-20(17-32-5)15-25(26)35-8/h9-10,13-15,18H,11-12,16-17H2,1-8H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/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