Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50102697   

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
Sulfotransferase 1E1 (Mus musculus)	BDBM50102697 ((2-Azepan-1-yl-9-isopropyl-9H-purin-6-yl)-(4-metho...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCCC2)cc1 Show InChI InChI=1S/C22H30N6O/c1-16(2)28-15-24-19-20(23-14-17-8-10-18(29-3)11-9-17)25-22(26-21(19)28)27-12-6-4-5-7-13-27/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of estrogen sulfotransferase (EST) in TLC radiolabel transfer assay				J Med Chem 44: 2683-6 (2001) BindingDB Entry DOI: 10.7270/Q28W3CKC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50102697 ((2-Azepan-1-yl-9-isopropyl-9H-purin-6-yl)-(4-metho...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCCC2)cc1 Show InChI InChI=1S/C22H30N6O/c1-16(2)28-15-24-19-20(23-14-17-8-10-18(29-3)11-9-17)25-22(26-21(19)28)27-12-6-4-5-7-13-27/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
					More data for this Ligand-Target Pair