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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 = 'BDBM50351398'   
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))
BDBM50351398
PNG
(CHEMBL1819088)
Show SMILES CCC(CC)Nc1c2CCOc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(15.19,-12.03,;13.84,-12.77,;13.81,-14.31,;15.13,-15.11,;16.48,-14.36,;12.46,-15.06,;12.43,-16.6,;11.08,-17.34,;9.62,-16.84,;8.69,-18.07,;9.58,-19.33,;11.05,-18.89,;12.38,-19.74,;13.73,-18.92,;15.19,-19.42,;16.11,-18.18,;17.65,-18.2,;15.22,-16.93,;13.75,-17.39,;15.65,-20.89,;14.6,-22.02,;15.06,-23.48,;16.56,-23.82,;17.02,-25.29,;15.98,-26.43,;17.61,-22.68,;17.15,-21.22,;18.19,-20.08,)|
Show InChI InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-19-16-9-10-28-21(16)24-20-18(12(3)25-26(19)20)15-8-7-14(27-4)11-17(15)22/h7-8,11,13,23H,5-6,9-10H2,1-4H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351398
PNG
(CHEMBL1819088)
Show SMILES CCC(CC)Nc1c2CCOc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(15.19,-12.03,;13.84,-12.77,;13.81,-14.31,;15.13,-15.11,;16.48,-14.36,;12.46,-15.06,;12.43,-16.6,;11.08,-17.34,;9.62,-16.84,;8.69,-18.07,;9.58,-19.33,;11.05,-18.89,;12.38,-19.74,;13.73,-18.92,;15.19,-19.42,;16.11,-18.18,;17.65,-18.2,;15.22,-16.93,;13.75,-17.39,;15.65,-20.89,;14.6,-22.02,;15.06,-23.48,;16.56,-23.82,;17.02,-25.29,;15.98,-26.43,;17.61,-22.68,;17.15,-21.22,;18.19,-20.08,)|
Show InChI InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-19-16-9-10-28-21(16)24-20-18(12(3)25-26(19)20)15-8-7-14(27-4)11-17(15)22/h7-8,11,13,23H,5-6,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP productio...


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair