BindingDB PrimarySearch

BDBM50281388 CHEMBL4173258

SMILES: CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C

InChI Key: InChIKey=NQDGCGNKNJWZHP-UHFFFAOYSA-N

Data: 7 KI 18 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50281388
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histamine H3 receptor (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to human H3 receptor				Bioorg Med Chem Lett 28: 3596-3600 (2018) Article DOI: 10.1016/j.bmcl.2018.10.048
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
IQOG, CSIC Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of human histamine H3 receptor				Eur J Med Chem 180: 690-706 (2019) Article DOI: 10.1016/j.ejmech.2019.07.040
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from human sigma1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting meth...				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma-2 receptor (Rattus norvegicus (Rat))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradi...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human MAOA				Bioorg Med Chem Lett 28: 3596-3600 (2018) Article DOI: 10.1016/j.bmcl.2018.10.048
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human MAOB				Bioorg Med Chem Lett 28: 3596-3600 (2018) Article DOI: 10.1016/j.bmcl.2018.10.048
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human BuChE				Bioorg Med Chem Lett 28: 3596-3600 (2018) Article DOI: 10.1016/j.bmcl.2018.10.048
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human AChE				Bioorg Med Chem Lett 28: 3596-3600 (2018) Article DOI: 10.1016/j.bmcl.2018.10.048
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of human MAOB				Eur J Med Chem 180: 690-706 (2019) Article DOI: 10.1016/j.ejmech.2019.07.040
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of human MAOA				Eur J Med Chem 180: 690-706 (2019) Article DOI: 10.1016/j.ejmech.2019.07.040
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of human AChE				Eur J Med Chem 180: 690-706 (2019) Article DOI: 10.1016/j.ejmech.2019.07.040
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of human BChE				Eur J Med Chem 180: 690-706 (2019) Article DOI: 10.1016/j.ejmech.2019.07.040
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human plasma butyrylcholinesterase by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradi...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using tyramine as substrate ampliflu red dye based fluorescence assay				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase expressed in HEK 293 cells using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50281388 (CHEMBL4173258) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A using tyramine as substrate ampliflu red dye based fluorescence assay				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair