BDBM50249187 CHEMBL4075415

SMILES: C[C@@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1

InChI Key: InChIKey=JICUUUBHBGKHQQ-AOMKIAJQSA-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 = 50249187   

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)	BDBM50249187 (CHEMBL4075415) Show SMILES C[C@@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C25H30N4O5/c1-15-17(4-5-18-19(15)14-34-23(18)32)22(31)16(2)28-11-8-25(9-12-28)10-13-29(24(25)33)20-6-7-21(30)27(3)26-20/h4-7,16,22,31H,8-14H2,1-3H3/t16-,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50249187 (CHEMBL4075415) Show SMILES C[C@@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C25H30N4O5/c1-15-17(4-5-18-19(15)14-34-23(18)32)22(31)16(2)28-11-8-25(9-12-28)10-13-29(24(25)33)20-6-7-21(30)27(3)26-20/h4-7,16,22,31H,8-14H2,1-3H3/t16-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair