BDBM50069808 CHEMBL3407582

SMILES: CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C

InChI Key: InChIKey=PXAIJXLXGTZZNP-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 = 50069808   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50069808 (CHEMBL3407582) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3	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	8.40E+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))	BDBM50069808 (CHEMBL3407582) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	258	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
Cholinesterases (Homo sapiens (Human))	BDBM50069808 (CHEMBL3407582) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3	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	5.90E+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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50069808 (CHEMBL3407582) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C Show InChI InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	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