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

InChI Key: InChIKey=AWUIPMWQBCSXND-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 = 50394514   
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))
BDBM50394514
PNG
(CHEMBL2160159)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(C)cc1OC |(3.3,6.94,;1.97,6.16,;1.98,4.62,;3.32,3.86,;4.55,4.53,;.65,3.84,;-.69,4.61,;-2.02,3.83,;-2.01,2.29,;-3.34,1.52,;-4.68,2.28,;-.67,1.53,;-.67,-.01,;.67,-.78,;2,,;3.34,-.76,;1.99,1.54,;.66,2.3,;.67,-2.32,;-.66,-3.09,;-1.99,-2.33,;-3.32,-3.1,;-.65,-4.63,;.69,-5.4,;.69,-6.94,;2.02,-4.62,;2.01,-3.08,;3.34,-2.3,;4.68,-3.07,)|
Show InChI InChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/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))
BDBM50394514
PNG
(CHEMBL2160159)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(C)cc1OC |(3.3,6.94,;1.97,6.16,;1.98,4.62,;3.32,3.86,;4.55,4.53,;.65,3.84,;-.69,4.61,;-2.02,3.83,;-2.01,2.29,;-3.34,1.52,;-4.68,2.28,;-.67,1.53,;-.67,-.01,;.67,-.78,;2,,;3.34,-.76,;1.99,1.54,;.66,2.3,;.67,-2.32,;-.66,-3.09,;-1.99,-2.33,;-3.32,-3.1,;-.65,-4.63,;.69,-5.4,;.69,-6.94,;2.02,-4.62,;2.01,-3.08,;3.34,-2.3,;4.68,-3.07,)|
Show InChI InChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/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