BDBM50206227 6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL238750

SMILES: COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12

InChI Key: InChIKey=KGXVLSBKFYJYCG-UHFFFAOYSA-N

Data: 3 KI

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 = 50206227   

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))	BDBM50206227 (6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...) Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8| Show InChI InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50206227 (6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...) Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8| Show InChI InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain SERT				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206227 (6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...) Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8| Show InChI InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Displacement of N-[3H]-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair