BDBM50249281 CHEMBL4071345

SMILES: COc1cc(ccn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O

InChI Key: InChIKey=NKEFKGGAZSWXRD-NRFANRHFSA-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 = 50249281   

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)	BDBM50249281 (CHEMBL4071345) Show SMILES COc1cc(ccn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C25H29N3O5/c1-16-18(3-4-19-20(16)15-33-23(19)30)21(29)14-27-10-6-25(7-11-27)8-12-28(24(25)31)17-5-9-26-22(13-17)32-2/h3-5,9,13,21,29H,6-8,10-12,14-15H2,1-2H3/t21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	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))	BDBM50249281 (CHEMBL4071345) Show SMILES COc1cc(ccn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C25H29N3O5/c1-16-18(3-4-19-20(16)15-33-23(19)30)21(29)14-27-10-6-25(7-11-27)8-12-28(24(25)31)17-5-9-26-22(13-17)32-2/h3-5,9,13,21,29H,6-8,10-12,14-15H2,1-2H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	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