BDBM50170025 CHEMBL3805101

SMILES: CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=IJJMAEBEVMXLBR-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50170025   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170025 (CHEMBL3805101) Show SMILES CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C19H24ClN3O2/c1-15-9-12-22(13-10-15)11-2-14-25-18-7-8-19(24)23(21-18)17-5-3-16(20)4-6-17/h3-8,15H,2,9-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 180 mins by liquid scintillation counting...				J Med Chem 59: 2942-61 (2016) BindingDB Entry DOI: 10.7270/Q2C82C77
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50170025 (CHEMBL3805101) Show SMILES CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C19H24ClN3O2/c1-15-9-12-22(13-10-15)11-2-14-25-18-7-8-19(24)23(21-18)17-5-3-16(20)4-6-17/h3-8,15H,2,9-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as tail current at -50 mV holding potential by whole-cell patch clamp method				J Med Chem 59: 2942-61 (2016) BindingDB Entry DOI: 10.7270/Q2C82C77
					More data for this Ligand-Target Pair