BDBM50396352 CHEMBL2170062

SMILES: Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1

InChI Key: InChIKey=DGPGXHRHNRYVDH-UHFFFAOYSA-N

Data: 9 KI  19 IC50  1 EC50

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 29 hits for monomerid = 50396352   

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))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 membrane after 180 mins by liquid scintillation counting anal...				Eur J Med Chem 79: 216-30 (2014) Article DOI: 10.1016/j.ejmech.2014.04.019 BindingDB Entry DOI: 10.7270/Q20003MX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis				J Med Chem 56: 3656-65 (2013) Article DOI: 10.1021/jm400181k BindingDB Entry DOI: 10.7270/Q2NK3GC7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 cell membranes after 120 mins by scintillation counter				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Binding affinity to human 5HT2B receptor				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2B6				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2E1				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2B receptor				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50396352 (CHEMBL2170062) Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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