BDBM50197879 CHEMBL3972214

SMILES: Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12

InChI Key: InChIKey=MFWCFENQSTYMSU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50197879   

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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50197879 (CHEMBL3972214) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-25-12-11-24-9-6-10-27(33)28(24)30-25)26(19-29)18-22-13-16-31(17-14-22)20-23-7-4-3-5-8-23/h1,3-12,22,26,33H,13-18,20-21H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50197879 (CHEMBL3972214) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-25-12-11-24-9-6-10-27(33)28(24)30-25)26(19-29)18-22-13-16-31(17-14-22)20-23-7-4-3-5-8-23/h1,3-12,22,26,33H,13-18,20-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50197879 (CHEMBL3972214) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-25-12-11-24-9-6-10-27(33)28(24)30-25)26(19-29)18-22-13-16-31(17-14-22)20-23-7-4-3-5-8-23/h1,3-12,22,26,33H,13-18,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by s...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50197879 (CHEMBL3972214) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-25-12-11-24-9-6-10-27(33)28(24)30-25)26(19-29)18-22-13-16-31(17-14-22)20-23-7-4-3-5-8-23/h1,3-12,22,26,33H,13-18,20-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair