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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50417502'   
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))
BDBM50417502
PNG
(CHEMBL1287905)
Show SMILES CC[C@@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wU:2.2,(12.72,-33.43,;14.06,-34.18,;14.08,-35.71,;15.43,-36.46,;15.45,-38.01,;14.11,-38.8,;14.13,-40.34,;12.81,-41.13,;15.48,-41.08,;16.8,-40.3,;18.27,-40.76,;19.16,-39.51,;20.7,-39.48,;18.24,-38.27,;16.79,-38.76,;19.05,-42.09,;18.28,-43.43,;19.04,-44.74,;20.58,-44.75,;21.35,-46.08,;22.9,-46.08,;21.35,-43.42,;20.58,-42.08,;21.35,-40.75,;12.85,-36.64,;11.38,-36.18,;10.5,-37.42,;8.96,-37.45,;11.41,-38.66,;12.88,-38.18,)|
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m1/s1
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PC cid
PC sid
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417502
PNG
(CHEMBL1287905)
Show SMILES CC[C@@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wU:2.2,(12.72,-33.43,;14.06,-34.18,;14.08,-35.71,;15.43,-36.46,;15.45,-38.01,;14.11,-38.8,;14.13,-40.34,;12.81,-41.13,;15.48,-41.08,;16.8,-40.3,;18.27,-40.76,;19.16,-39.51,;20.7,-39.48,;18.24,-38.27,;16.79,-38.76,;19.05,-42.09,;18.28,-43.43,;19.04,-44.74,;20.58,-44.75,;21.35,-46.08,;22.9,-46.08,;21.35,-43.42,;20.58,-42.08,;21.35,-40.75,;12.85,-36.64,;11.38,-36.18,;10.5,-37.42,;8.96,-37.45,;11.41,-38.66,;12.88,-38.18,)|
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair