BDBM50204273 CHEMBL3920038

SMILES: [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C

InChI Key: InChIKey=QBNGVEBGOIDQEP-OXJNMPFZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50204273   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50204273 (CHEMBL3920038) Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)21(33)6-15-8-25-22(26-9-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ERG by electrophysiology method				Bioorg Med Chem Lett 26: 5695-5702 (2016) Article DOI: 10.1016/j.bmcl.2016.10.064 BindingDB Entry DOI: 10.7270/Q2F191PS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50204273 (CHEMBL3920038) Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C22H22FN9O2/c1-14-17(2-3-19(23)18(14)7-24)20-11-30-4-5-31(10-16(30)12-34-20)21(33)6-15-8-25-22(26-9-15)32-13-27-28-29-32/h2-3,8-9,13,16,20H,4-6,10-12H2,1H3/t16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method				Bioorg Med Chem Lett 26: 5695-5702 (2016) Article DOI: 10.1016/j.bmcl.2016.10.064 BindingDB Entry DOI: 10.7270/Q2F191PS
					More data for this Ligand-Target Pair