BDBM50391783 CHEMBL2146876

SMILES: COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N

InChI Key: InChIKey=YTNSJONVJGMWDS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50391783   

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))	BDBM50391783 (CHEMBL2146876) Show SMILES COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C24H27N3O3/c1-29-23-15-19(2-4-20(23)16-25)7-9-27-12-10-26(11-13-27)8-6-18-3-5-22-21(14-18)17-30-24(22)28/h2-5,14-15H,6-13,17H2,1H3	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	1.60E+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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391783 (CHEMBL2146876) Show SMILES COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C24H27N3O3/c1-29-23-15-19(2-4-20(23)16-25)7-9-27-12-10-26(11-13-27)8-6-18-3-5-22-21(14-18)17-30-24(22)28/h2-5,14-15H,6-13,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ROMK1 channel expressed in CHO cells coexpressing DHFR assessed as inhibition of 86Rb+ efflux after 35 mins by TopCount method				ACS Med Chem Lett 3: 367-372 (2012) Article DOI: 10.1021/ml3000066 BindingDB Entry DOI: 10.7270/Q2MK6DZV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391783 (CHEMBL2146876) Show SMILES COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C24H27N3O3/c1-29-23-15-19(2-4-20(23)16-25)7-9-27-12-10-26(11-13-27)8-6-18-3-5-22-21(14-18)17-30-24(22)28/h2-5,14-15H,6-13,17H2,1H3	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG				ACS Med Chem Lett 3: 367-372 (2012) Article DOI: 10.1021/ml3000066 BindingDB Entry DOI: 10.7270/Q2MK6DZV
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391783 (CHEMBL2146876) Show SMILES COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C24H27N3O3/c1-29-23-15-19(2-4-20(23)16-25)7-9-27-12-10-26(11-13-27)8-6-18-3-5-22-21(14-18)17-30-24(22)28/h2-5,14-15H,6-13,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89	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