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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 = 'BDBM50412798'   
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))
BDBM50412798
PNG
(EMICERFONT)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
Show InChI InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)
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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412798
PNG
(EMICERFONT)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
Show InChI InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)
PDB
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KEGG

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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 72.4n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO cells assessed as effect on sauvagine-induced cAMP production


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair