BDBM50116838 CHEMBL3612922

SMILES: Cc1cc(cnc1C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)C#N

InChI Key: InChIKey=XVHBSQZSXHVVKZ-HMTLIYDFSA-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 = 50116838   

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))	BDBM50116838 (CHEMBL3612922) Show SMILES Cc1cc(cnc1C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)C#N |r| Show InChI InChI=1S/C24H28N4O4/c1-15-9-17(10-25)11-26-23(15)22(30)13-28-7-5-27(6-8-28)12-21(29)18-3-4-19-20(16(18)2)14-32-24(19)31/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50116838 (CHEMBL3612922) Show SMILES Cc1cc(cnc1C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)C#N |r| Show InChI InChI=1S/C24H28N4O4/c1-15-9-17(10-25)11-26-23(15)22(30)13-28-7-5-27(6-8-28)12-21(29)18-3-4-19-20(16(18)2)14-32-24(19)31/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	640	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