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

InChI Key: InChIKey=YUVOHIRVPNRLGG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50394520   
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))
BDBM50394520
PNG
(CHEMBL2160170)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(CC)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;4.65,1.15,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)|
Show InChI InChI=1S/C26H34N2O4/c1-8-18-15-19-20(28(9-2)10-3)11-12-21(30-5)26(19)27-25(18)24-22(31-6)13-17(16-29-4)14-23(24)32-7/h11-15H,8-10,16H2,1-7H3
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 108n/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))
BDBM50394520
PNG
(CHEMBL2160170)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(CC)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;4.65,1.15,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)|
Show InChI InChI=1S/C26H34N2O4/c1-8-18-15-19-20(28(9-2)10-3)11-12-21(30-5)26(19)27-25(18)24-22(31-6)13-17(16-29-4)14-23(24)32-7/h11-15H,8-10,16H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/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