BDBM50069802 CHEMBL3407581

SMILES: CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C

InChI Key: InChIKey=MENPQHDIPOYDSI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50069802   

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
Cholinesterases (Homo sapiens (Human))	BDBM50069802 (CHEMBL3407581) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3	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	4.90E+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 recombinant human BuChE expressed in HEK293 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50069802 (CHEMBL3407581) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3	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	2.80E+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 recombinant human AChE expressed in HEK293 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) A (Homo sapiens (Human))	BDBM50069802 (CHEMBL3407581) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+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 Reversible inhibition of human MAO-A expressed in baculovirus infected BTI insect cells				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) A (Homo sapiens (Human))	BDBM50069802 (CHEMBL3407581) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	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))	BDBM50069802 (CHEMBL3407581) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	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