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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 = 'BDBM50171318'   
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))
BDBM50171318
PNG
(1-(4-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-4...)
Show SMILES CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O
Show InChI InChI=1S/C23H30N4O2/c1-5-7-17(8-6-2)25-13-14-26-21-20(25)15-16(3)24-22(21)27(23(26)28)18-9-11-19(29-4)12-10-18/h9-12,15,17H,5-8,13-14H2,1-4H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells


J Med Chem 48: 5104-7 (2005)


Article DOI: 10.1021/jm050384+
BindingDB Entry DOI: 10.7270/Q2610ZVM
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50171318
PNG
(1-(4-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-4...)
Show SMILES CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O
Show InChI InChI=1S/C23H30N4O2/c1-5-7-17(8-6-2)25-13-14-26-21-20(25)15-16(3)24-22(21)27(23(26)28)18-9-11-19(29-4)12-10-18/h9-12,15,17H,5-8,13-14H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of CRF stimulated cAMP production in CHO cells expressing CRF1 receptor


J Med Chem 48: 5104-7 (2005)


Article DOI: 10.1021/jm050384+
BindingDB Entry DOI: 10.7270/Q2610ZVM
More data for this
Ligand-Target Pair