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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 = 'BDBM50131716'   
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


(Rattus norvegicus (rat))		BDBM50131716
PNG
(CHEMBL430892 | [3-(4-Bromo-2-chloro-phenyl)-2,5-di...)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(2.5,2.36,;1.17,3.13,;-.17,2.36,;-1.5,3.12,;-2.85,2.35,;-4.18,3.11,;-5.51,2.34,;-6.84,3.11,;-8.17,2.34,;-2.83,.81,;-4.16,.04,;-4.16,-1.51,;-5.51,-2.28,;-2.83,-2.28,;-1.49,-1.5,;-.03,-1.98,;.88,-.73,;2.42,-.73,;-.03,.52,;-1.49,.04,;.44,-3.44,;-.59,-4.58,;-.12,-6.04,;1.39,-6.36,;1.87,-7.83,;2.43,-5.21,;1.94,-3.75,;2.96,-2.61,)|
Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3
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Similars
Article
PubMed
 1.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for the Corticotropin releasing factor receptor 1 (CRHR1) was determined in rat brain

J Med Chem 46: 3559-62 (2003)


Article DOI: 10.1021/jm034077k
BindingDB Entry DOI: 10.7270/Q2NS0VN9
More data for this
Ligand-Target Pair