Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50417510'   

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))	BDBM50417510 (CHEMBL1288027) Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C)c1nc(C)no1 |(16.27,-27.55,;17.6,-28.32,;17.6,-29.86,;18.94,-30.63,;18.94,-32.17,;17.6,-32.95,;17.6,-34.5,;16.27,-35.27,;18.94,-35.26,;20.27,-34.5,;21.74,-34.98,;22.65,-33.73,;24.19,-33.73,;21.74,-32.48,;20.27,-32.95,;22.5,-36.33,;21.7,-37.64,;22.46,-38.99,;24,-39.01,;24.79,-37.67,;24.03,-36.33,;24.81,-35.01,;24.76,-40.35,;23.9,-41.64,;26.29,-40.45,;16.34,-30.74,;14.89,-30.24,;13.96,-31.46,;12.42,-31.42,;14.83,-32.73,;16.31,-32.29,)| Show InChI InChI=1S/C22H28N8O/c1-8-17(22-25-15(5)28-31-22)26-19-10-13(3)24-21-20(14(4)27-30(19)21)16-11-23-18(29(6)7)9-12(16)2/h9-11,17,26H,8H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
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