Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha' and Ligand = 'BDBM50478866'   

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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50478866 (Isocephaeline) Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2cc(O)c(OC)cc12 |r| Show InChI InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by luciferase reporter gene assay				J Nat Prod 68: 947-50 (2005) Article DOI: 10.1021/np050029m BindingDB Entry DOI: 10.7270/Q23J3GRV
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