BDBM50232642 CHEMBL3093781

SMILES: COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCN(CCN(C)C)CC2)c2ccc(cc2)-c2ccccc2)cc1

InChI Key: InChIKey=NVUOOHYUOQYRFG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50232642   

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
Cholinesterase (Equus caballus (Horse))	BDBM50232642 (CHEMBL3093781) Show SMILES COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCN(CCN(C)C)CC2)c2ccc(cc2)-c2ccccc2)cc1 |c:13| Show InChI InChI=1S/C38H44N6O2/c1-41(2)21-22-42-23-25-43(26-24-42)38-40-35-12-8-7-11-34(35)36(27-37(45)39-28-29-13-19-33(46-3)20-14-29)44(38)32-17-15-31(16-18-32)30-9-5-4-6-10-30/h4-20,36H,21-28H2,1-3H3,(H,39,45)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...				Bioorg Med Chem Lett 27: 1179-1185 (2017) BindingDB Entry DOI: 10.7270/Q2P271CH
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G (Homo sapiens (Human))	BDBM50232642 (CHEMBL3093781) Show SMILES COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCN(CCN(C)C)CC2)c2ccc(cc2)-c2ccccc2)cc1 |c:13| Show InChI InChI=1S/C38H44N6O2/c1-41(2)21-22-42-23-25-43(26-24-42)38-40-35-12-8-7-11-34(35)36(27-37(45)39-28-29-13-19-33(46-3)20-14-29)44(38)32-17-15-31(16-18-32)30-9-5-4-6-10-30/h4-20,36H,21-28H2,1-3H3,(H,39,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced curr...				Bioorg Med Chem Lett 23: 6656-62 (2013) Article DOI: 10.1016/j.bmcl.2013.10.049 BindingDB Entry DOI: 10.7270/Q28W3H80
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50232642 (CHEMBL3093781) Show SMILES COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCN(CCN(C)C)CC2)c2ccc(cc2)-c2ccccc2)cc1 |c:13| Show InChI InChI=1S/C38H44N6O2/c1-41(2)21-22-42-23-25-43(26-24-42)38-40-35-12-8-7-11-34(35)36(27-37(45)39-28-29-13-19-33(46-3)20-14-29)44(38)32-17-15-31(16-18-32)30-9-5-4-6-10-30/h4-20,36H,21-28H2,1-3H3,(H,39,45)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...				Bioorg Med Chem Lett 27: 1179-1185 (2017) BindingDB Entry DOI: 10.7270/Q2P271CH
					More data for this Ligand-Target Pair