Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50420912'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50420912 (CHEMBL2087558) Show SMILES CCc1nn2c(cccc2c1N(CCCF)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.75,1.19,;-3.97,-.14,;-2.43,-.13,;-1.52,-1.37,;-.06,-.88,;1.28,-1.65,;2.61,-.87,;2.6,.67,;1.26,1.43,;-.07,.66,;-1.54,1.12,;-2.02,2.58,;-1,3.74,;-1.56,5.17,;-.59,6.37,;-1.16,7.81,;-3.53,2.9,;-4.09,4.33,;-5.29,5.29,;-3.86,5.85,;1.29,-3.19,;-.04,-3.96,;-1.38,-3.2,;-.03,-5.5,;1.3,-6.27,;1.31,-7.81,;2.63,-5.49,;2.62,-3.95,;3.95,-3.17,;5.29,-3.93,)| Show InChI InChI=1S/C25H32FN3O/c1-5-20-25(28(13-7-12-26)16-19-10-11-19)22-9-6-8-21(29(22)27-20)24-18(3)14-17(2)15-23(24)30-4/h6,8-9,14-15,19H,5,7,10-13,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5255-69 (2012) Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC
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