BDBM50116823 CHEMBL3612802

SMILES: COc1cc(CC(C)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N

InChI Key: InChIKey=WQPCNHKENDXDBI-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 = 50116823   

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))	BDBM50116823 (CHEMBL3612802) Show SMILES COc1cc(CC(C)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N Show InChI InChI=1S/C26H31N3O3/c1-18(14-20-4-5-22(16-27)25(15-20)31-3)29-12-10-28(11-13-29)9-8-21-6-7-23-24(19(21)2)17-32-26(23)30/h4-7,15,18H,8-14,17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	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))	BDBM50116823 (CHEMBL3612802) Show SMILES COc1cc(CC(C)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N Show InChI InChI=1S/C26H31N3O3/c1-18(14-20-4-5-22(16-27)25(15-20)31-3)29-12-10-28(11-13-29)9-8-21-6-7-23-24(19(21)2)17-32-26(23)30/h4-7,15,18H,8-14,17H2,1-3H3	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	1.30E+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