BDBM50163356 CHEMBL3793717

SMILES: CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1cnc(cc1C)-n1cnnn1

InChI Key: InChIKey=BUKUMBXSVUEGRL-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 = 50163356   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50163356 (CHEMBL3793717) Show SMILES CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1cnc(cc1C)-n1cnnn1 Show InChI InChI=1S/C25H29N7O3/c1-16-12-23(32-15-27-28-29-32)26-13-21(16)18(3)24(33)31-10-8-30(9-11-31)7-6-19-4-5-20-22(17(19)2)14-35-25(20)34/h4-5,12-13,15,18H,6-11,14H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+4	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				Bioorg Med Chem Lett 26: 2339-43 (2016) BindingDB Entry DOI: 10.7270/Q2668G3Q
					More data for this Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM50163356 (CHEMBL3793717) Show SMILES CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1cnc(cc1C)-n1cnnn1 Show InChI InChI=1S/C25H29N7O3/c1-16-12-23(32-15-27-28-29-32)26-13-21(16)18(3)24(33)31-10-8-30(9-11-31)7-6-19-4-5-20-22(17(19)2)14-35-25(20)34/h4-5,12-13,15,18H,6-11,14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay				Bioorg Med Chem Lett 26: 2339-43 (2016) BindingDB Entry DOI: 10.7270/Q2668G3Q
					More data for this Ligand-Target Pair