Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50420936'   

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))	BDBM50420936 (CHEMBL2087800) Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3OCCCO3)c(SC)nn12 |(2.87,-8.75,;2.87,-7.21,;1.53,-6.44,;1.53,-4.9,;2.87,-4.13,;2.87,-2.59,;4.2,-1.82,;5.53,-2.59,;1.53,-1.82,;.2,-2.59,;-1.13,-1.82,;-2.47,-2.59,;.2,-4.13,;1.53,-.28,;2.87,.49,;2.87,2.03,;1.53,2.8,;.2,2.03,;-1.27,2.5,;-1.74,3.97,;-.71,5.11,;.81,4.87,;2.25,5.42,;2.01,3.9,;-3.25,4.29,;-3.65,5.78,;-2.56,6.87,;-2.96,8.35,;-4.45,8.75,;-5.53,7.66,;-5.14,6.17,;-2.17,1.26,;-3.71,1.26,;-4.48,2.59,;-1.27,.01,;.2,.49,)| Show InChI InChI=1S/C27H35N3O5S/c1-31-17-19-13-22(32-2)25(23(14-19)33-3)20-7-5-8-21-26(27(36-4)28-30(20)21)29(15-18-9-10-18)16-24-34-11-6-12-35-24/h5,7-8,13-14,18,24H,6,9-12,15-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	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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