BDBM50151367 CHEMBL3774473

SMILES: O=C(N1CCC(CC1)n1nc(oc1=O)-c1cccnc1)C1(CC1)c1ccccc1

InChI Key: InChIKey=BIQUIXLLTIGXHJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50151367   

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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50151367 (CHEMBL3774473) Show SMILES O=C(N1CCC(CC1)n1nc(oc1=O)-c1cccnc1)C1(CC1)c1ccccc1 Show InChI InChI=1S/C22H22N4O3/c27-20(22(10-11-22)17-6-2-1-3-7-17)25-13-8-18(9-14-25)26-21(28)29-19(24-26)16-5-4-12-23-15-16/h1-7,12,15,18H,8-11,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) over-expressed with N-terminal deletion beta-galactosidase mutant-tag...				Bioorg Med Chem Lett 26: 1827-30 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9ZG5
					More data for this Ligand-Target Pair