BDBM50116820 CHEMBL3612805

SMILES: COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1

InChI Key: InChIKey=FIUWMNITVWJXRH-UHFFFAOYSA-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 = 50116820   

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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50116820 (CHEMBL3612805) Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C25H29N3O4/c1-17-18(5-6-21-22(17)16-32-25(21)30)7-8-27-9-11-28(12-10-27)15-23(29)19-3-4-20(14-26)24(13-19)31-2/h3-6,13,23,29H,7-12,15-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay				ACS Med Chem Lett 6: 747-52 (2015) BindingDB Entry DOI: 10.7270/Q27H1MCQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50116820 (CHEMBL3612805) Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C25H29N3O4/c1-17-18(5-6-21-22(17)16-32-25(21)30)7-8-27-9-11-28(12-10-27)15-23(29)19-3-4-20(14-26)24(13-19)31-2/h3-6,13,23,29H,7-12,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells				ACS Med Chem Lett 6: 747-52 (2015) BindingDB Entry DOI: 10.7270/Q27H1MCQ
					More data for this Ligand-Target Pair