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

InChI Key: InChIKey=KNQTZIXQAVZZSA-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 = 50394527   
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))
BDBM50394527
PNG
(CHEMBL2160161)
Show SMILES CCN(CC)c1ccc(Cl)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.04,5.73,;2.69,4.99,;1.36,5.77,;1.38,7.31,;2.72,8.07,;.02,5.01,;-1.3,5.79,;-2.64,5.03,;-2.66,3.49,;-4,2.74,;-1.33,2.71,;-1.34,1.17,;-.02,.39,;1.32,1.15,;2.65,.37,;1.34,2.69,;.01,3.47,;-.03,-1.15,;-1.37,-1.91,;-2.7,-1.13,;-4.04,-1.88,;-1.39,-3.45,;-.06,-4.23,;-.07,-5.77,;-1.41,-6.53,;-1.43,-8.07,;1.28,-3.47,;1.3,-1.93,;2.64,-1.17,;3.96,-1.95,)|
Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-18(25)24-17(19)11-15(3)23(26-24)22-20(29-5)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/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))
BDBM50394527
PNG
(CHEMBL2160161)
Show SMILES CCN(CC)c1ccc(Cl)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.04,5.73,;2.69,4.99,;1.36,5.77,;1.38,7.31,;2.72,8.07,;.02,5.01,;-1.3,5.79,;-2.64,5.03,;-2.66,3.49,;-4,2.74,;-1.33,2.71,;-1.34,1.17,;-.02,.39,;1.32,1.15,;2.65,.37,;1.34,2.69,;.01,3.47,;-.03,-1.15,;-1.37,-1.91,;-2.7,-1.13,;-4.04,-1.88,;-1.39,-3.45,;-.06,-4.23,;-.07,-5.77,;-1.41,-6.53,;-1.43,-8.07,;1.28,-3.47,;1.3,-1.93,;2.64,-1.17,;3.96,-1.95,)|
Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-18(25)24-17(19)11-15(3)23(26-24)22-20(29-5)12-16(14-28-4)13-21(22)30-6/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 28n/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