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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM131880'   
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))
BDBM131880
PNG
(US8835444, 5.21)
Show SMILES OCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1Cl |r,wU:6.5,wD:9.12,(7.44,-2.27,;8.21,-.94,;7.44,.39,;5.9,.39,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,;6.67,2.76,;7.91,1.86,;9.25,2.63,)|
Show InChI InChI=1S/C19H20Cl2F3N3O2/c20-15-6-3-12(19(22,23)24)7-14(15)18(29)25-13-4-1-11(2-5-13)8-27-9-16(21)17(10-28)26-27/h3,6-7,9,11,13,28H,1-2,4-5,8,10H2,(H,25,29)/t11-,13-
PDB
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Similars

US Patent
n/an/a 95n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...


US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair