BDBM50391781 CHEMBL2146873::US9073882, 38

SMILES: Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N

InChI Key: InChIKey=XPHJICKYBJRKLW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50391781   

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))	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ROMK by electrophysiology assay				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))	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	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	170	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 27: 1109-1114 (2017) Article DOI: 10.1016/j.bmcl.2016.10.032 BindingDB Entry DOI: 10.7270/Q2T43WC8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay				Bioorg Med Chem Lett 27: 1109-1114 (2017) Article DOI: 10.1016/j.bmcl.2016.10.032 BindingDB Entry DOI: 10.7270/Q2T43WC8
					More data for this Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat ROMK channel expressed in HEk293 cells assessed as inhibition of thallium efflux by fluorescence assay				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