BDBM50519735 CHEMBL4573309

SMILES: CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC

InChI Key: InChIKey=LEFLUEYSKFGASD-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50519735   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50519735 (CHEMBL4573309) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C29H42N2O5/c1-5-34-28(32)25-21(3)30-22(4)26(29(33)35-6-2)27(25)23-13-15-24(16-14-23)36-20-12-8-11-19-31-17-9-7-10-18-31/h13-16,27,30H,5-12,17-20H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	565	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50519735 (CHEMBL4573309) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C29H42N2O5/c1-5-34-28(32)25-21(3)30-22(4)26(29(33)35-6-2)27(25)23-13-15-24(16-14-23)36-20-12-8-11-19-31-17-9-7-10-18-31/h13-16,27,30H,5-12,17-20H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Antagonist activity at human H4 receptor expressed in CHO-K1 cells co-expressing G protein alpha16 assessed as inhibition of histamine-induced calciu...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50519735 (CHEMBL4573309) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C29H42N2O5/c1-5-34-28(32)25-21(3)30-22(4)26(29(33)35-6-2)27(25)23-13-15-24(16-14-23)36-20-12-8-11-19-31-17-9-7-10-18-31/h13-16,27,30H,5-12,17-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide substrate by Ellman's protocol based assay				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937
					More data for this Ligand-Target Pair
Voltage-gated L-type calcium channel (Homo sapiens (Human))	BDBM50519735 (CHEMBL4573309) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C29H42N2O5/c1-5-34-28(32)25-21(3)30-22(4)26(29(33)35-6-2)27(25)23-13-15-24(16-14-23)36-20-12-8-11-19-31-17-9-7-10-18-31/h13-16,27,30H,5-12,17-20H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Bourgogne Franche-Comt£ Curated by ChEMBL					Assay Description Inhibition of voltage-dependent L-type calcium channel in 70 mM K+-induced human SH-SY5Y cells assessed as blocking of depolarization-induced Ca2+ up...				J Med Chem 62: 11416-11422 (2019) Article DOI: 10.1021/acs.jmedchem.9b00937
					More data for this Ligand-Target Pair