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PubMed code 24675175

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



South Dakota State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...


Eur J Med Chem 78: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50003912
PNG
(CHEMBL3235706)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC
Show InChI InChI=1S/C23H34N4S/c1-7-11-27(14-19-9-10-19)23-21(28-8-2)22(24-18(6)25-23)26-20-16(4)12-15(3)13-17(20)5/h12-13,19H,7-11,14H2,1-6H3,(H,24,25,26)
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n/an/a 245n/an/an/an/an/an/a



South Dakota State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...


Eur J Med Chem 78: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50003909
PNG
(CHEMBL3235700)
Show SMILES COCCN(CCOC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC
Show InChI InChI=1S/C21H32N4O2S/c1-14-12-15(2)18(16(3)13-14)24-20-19(28-7)21(23-17(4)22-20)25(8-10-26-5)9-11-27-6/h12-13H,8-11H2,1-7H3,(H,22,23,24)
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n/an/a 275n/an/an/an/an/an/a



South Dakota State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...


Eur J Med Chem 78: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50003910
PNG
(CHEMBL3235703)
Show SMILES CCCN(CCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC
Show InChI InChI=1S/C22H34N4S/c1-8-11-26(12-9-2)22-20(27-10-3)21(23-18(7)24-22)25-19-16(5)13-15(4)14-17(19)6/h13-14H,8-12H2,1-7H3,(H,23,24,25)
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n/an/a 537n/an/an/an/an/an/a



South Dakota State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...


Eur J Med Chem 78: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50003911
PNG
(CHEMBL3235705)
Show SMILES CCSc1c(Nc2c(C)cc(C)cc2C)nc(C)nc1N(CCOC)CCOC
Show InChI InChI=1S/C22H34N4O2S/c1-8-29-20-21(25-19-16(3)13-15(2)14-17(19)4)23-18(5)24-22(20)26(9-11-27-6)10-12-28-7/h13-14H,8-12H2,1-7H3,(H,23,24,25)
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n/an/a 589n/an/an/an/an/an/a



South Dakota State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi...


Eur J Med Chem 78: 1-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%