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SMILES: CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12

InChI Key: InChIKey=DJMFVVAZSMMHDE-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 = 50231907   
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))
BDBM50231907
PNG
(1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...)
Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)|
Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3
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8n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells


Bioorg Med Chem Lett 18: 891-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50231907
PNG
(1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...)
Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)|
Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3
PDB
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Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
22n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation


Bioorg Med Chem Lett 18: 891-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS
More data for this
Ligand-Target Pair