BDBM50216248 (6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL439561

SMILES: C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1

InChI Key: InChIKey=VZXHLVQQUPAPMN-BJKOFHAPSA-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 = 50216248   

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))	BDBM50216248 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1 Show InChI InChI=1S/C24H31N3O2/c1-4-19(17-25-8-1)23-18-27-10-2-5-24(27)22-16-20(6-7-21(22)23)29-13-3-9-26-11-14-28-15-12-26/h1,4,6-8,16-17,23-24H,2-3,5,9-15,18H2/t23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50216248 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1 Show InChI InChI=1S/C24H31N3O2/c1-4-19(17-25-8-1)23-18-27-10-2-5-24(27)22-16-20(6-7-21(22)23)29-13-3-9-26-11-14-28-15-12-26/h1,4,6-8,16-17,23-24H,2-3,5,9-15,18H2/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50216248 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1 Show InChI InChI=1S/C24H31N3O2/c1-4-19(17-25-8-1)23-18-27-10-2-5-24(27)22-16-20(6-7-21(22)23)29-13-3-9-26-11-14-28-15-12-26/h1,4,6-8,16-17,23-24H,2-3,5,9-15,18H2/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair