Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50420922'   

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))	BDBM50420922 (CHEMBL2087569) Show SMILES CCOCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(CC)nn12 |(4.24,-9.12,;2.9,-8.36,;2.9,-6.82,;1.56,-6.05,;1.56,-4.51,;2.89,-3.74,;2.88,-2.2,;4.21,-1.42,;5.55,-2.19,;1.55,-1.43,;.22,-2.21,;-1.12,-1.44,;-2.45,-2.21,;.22,-3.75,;1.54,.11,;2.87,.88,;2.87,2.42,;1.53,3.19,;.2,2.41,;-1.27,2.89,;-1.75,4.35,;-.72,5.5,;.8,5.26,;2.24,5.82,;2,4.3,;-3.25,4.66,;-3.66,6.15,;-5.15,6.54,;-5.55,8.03,;-4.47,9.12,;-2.98,8.73,;-2.57,7.24,;-2.17,1.64,;-3.71,1.63,;-4.48,2.96,;-1.26,.39,;.21,.87,)| Show InChI InChI=1S/C30H41N3O4/c1-5-24-30(32(18-21-10-11-21)19-22-12-14-37-15-13-22)26-9-7-8-25(33(26)31-24)29-27(34-3)16-23(20-36-6-2)17-28(29)35-4/h7-9,16-17,21-22H,5-6,10-15,18-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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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