BDBM50069811 CHEMBL3407588

SMILES: COc1ccc(CN2CCC(CCCOc3ccc4n(C)c(CN(C)CC#C)cc4c3)CC2)c2cccnc12

InChI Key: InChIKey=KAMCYDVYIMMVEU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50069811   

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))	BDBM50069811 (CHEMBL3407588) Show SMILES COc1ccc(CN2CCC(CCCOc3ccc4n(C)c(CN(C)CC#C)cc4c3)CC2)c2cccnc12 Show InChI InChI=1S/C33H40N4O2/c1-5-17-35(2)24-28-21-27-22-29(11-12-31(27)36(28)3)39-20-7-8-25-14-18-37(19-15-25)23-26-10-13-32(38-4)33-30(26)9-6-16-34-33/h1,6,9-13,16,21-22,25H,7-8,14-15,17-20,23-24H2,2-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50069811 (CHEMBL3407588) Show SMILES COc1ccc(CN2CCC(CCCOc3ccc4n(C)c(CN(C)CC#C)cc4c3)CC2)c2cccnc12 Show InChI InChI=1S/C33H40N4O2/c1-5-17-35(2)24-28-21-27-22-29(11-12-31(27)36(28)3)39-20-7-8-25-14-18-37(19-15-25)23-26-10-13-32(38-4)33-30(26)9-6-16-34-33/h1,6,9-13,16,21-22,25H,7-8,14-15,17-20,23-24H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair