BDBM50077891 CHEMBL3417066::US9611229, 12

SMILES: Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl

InChI Key: InChIKey=LOAJYSQBGQBDDR-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 = 50077891   

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 (Mus musculus (Mouse))	BDBM50077891 (CHEMBL3417066 | US9611229, 12) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50077891 (CHEMBL3417066 | US9611229, 12) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50077891 (CHEMBL3417066 | US9611229, 12) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair