BDBM50034090 CHEMBL3359239

SMILES: Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1

InChI Key: InChIKey=MSFUOAXHQLXDAO-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50034090   

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))	BDBM50034090 (CHEMBL3359239) Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.10	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 sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...				J Med Chem 57: 10404-23 (2014) Article DOI: 10.1021/jm501207r BindingDB Entry DOI: 10.7270/Q2XD138B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50034090 (CHEMBL3359239) Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...				Bioorg Med Chem 27: 1824-1835 (2019) Article DOI: 10.1016/j.bmc.2019.03.030
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50034090 (CHEMBL3359239) Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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 ERG channel in HEK293 cells by whole cell patch clamp technique				J Med Chem 57: 10404-23 (2014) Article DOI: 10.1021/jm501207r BindingDB Entry DOI: 10.7270/Q2XD138B
					More data for this Ligand-Target Pair