BDBM50116826 CHEMBL3612799

SMILES: COc1cc(CCN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N

InChI Key: InChIKey=ABQYVJPTPMJTBN-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 = 50116826   

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))	BDBM50116826 (CHEMBL3612799) Show SMILES COc1cc(CCN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N Show InChI InChI=1S/C25H29N3O4/c1-17-20(5-6-21-22(17)16-32-25(21)30)23(29)15-28-11-9-27(10-12-28)8-7-18-3-4-19(14-26)24(13-18)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	PubMed	n/a	n/a	120	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))	BDBM50116826 (CHEMBL3612799) Show SMILES COc1cc(CCN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N Show InChI InChI=1S/C25H29N3O4/c1-17-20(5-6-21-22(17)16-32-25(21)30)23(29)15-28-11-9-27(10-12-28)8-7-18-3-4-19(14-26)24(13-18)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	PubMed	n/a	n/a	9.00E+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