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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 = 'BDBM50074455'   
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))
BDBM50074455
PNG
(Bis-(2-methoxy-ethyl)-[2,5,6-trimethyl-7-(2,4,6-tr...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(6.09,-3.06,;7.42,-2.29,;8.76,-3.06,;10.1,-2.29,;11.42,-3.06,;12.75,-2.29,;12.75,-.75,;14.08,.02,;14.08,1.58,;11.42,-4.6,;10.1,-5.37,;10.1,-6.9,;8.74,-7.69,;11.42,-7.67,;12.75,-6.9,;14.22,-7.37,;15.12,-6.13,;16.66,-6.15,;14.22,-4.89,;14.68,-3.42,;12.75,-5.37,;14.85,-8.78,;16.38,-8.95,;17.29,-7.7,;17.01,-10.35,;16.1,-11.6,;16.71,-13.02,;14.57,-11.44,;13.94,-10.03,;12.4,-9.88,)|
Show InChI InChI=1S/C24H34N4O2/c1-15-13-16(2)22(17(3)14-15)28-19(5)18(4)21-23(25-20(6)26-24(21)28)27(9-11-29-7)10-12-30-8/h13-14H,9-12H2,1-8H3
PDB
MMDB

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Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair