Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inward rectifier potassium channel 2' and Ligand = 'BDBM50258216'   

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
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50258216 (CHEMBL4105630) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin) by patch clamp assay				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
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