BDBM50170036 CHEMBL3805396

SMILES: Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O

InChI Key: InChIKey=YGJBYMFKKBTXJW-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 = 50170036   

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))	BDBM50170036 (CHEMBL3805396) Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O Show InChI InChI=1S/C18H21Cl2N3O2/c19-15-6-5-14(13-16(15)20)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	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)	BDBM50170036 (CHEMBL3805396) Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O Show InChI InChI=1S/C18H21Cl2N3O2/c19-15-6-5-14(13-16(15)20)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.34E+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