Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 50317179   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.492	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universitat Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman's method				J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.507	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universitat Jena Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by modified Ellman's method				J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay				J Med Chem 58: 6710-5 (2015) Article DOI: 10.1021/acs.jmedchem.5b00958 BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay				J Med Chem 58: 6710-5 (2015) Article DOI: 10.1021/acs.jmedchem.5b00958 BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB				J Med Chem 58: 6710-5 (2015) Article DOI: 10.1021/acs.jmedchem.5b00958 BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universitat Jena Curated by ChEMBL					Assay Description Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assess...				J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 58: 6710-5 (2015) Article DOI: 10.1021/acs.jmedchem.5b00958 BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50317179 (2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...) Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21 Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universitat Jena Curated by ChEMBL					Assay Description Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assesse...				J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0
					More data for this Ligand-Target Pair