BDBM50216249 (6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-2-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL247935

SMILES: C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1

InChI Key: InChIKey=BDWXFGZMHKOMCV-ILBGXUMGSA-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 = 50216249   

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))	BDBM50216249 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1 Show InChI InChI=1S/C25H33N3O/c1-4-13-27(14-5-1)15-7-17-29-20-10-11-21-22(18-20)25-9-6-16-28(25)19-23(21)24-8-2-3-12-26-24/h2-3,8,10-12,18,23,25H,1,4-7,9,13-17,19H2/t23-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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))	BDBM50216249 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1 Show InChI InChI=1S/C25H33N3O/c1-4-13-27(14-5-1)15-7-17-29-20-10-11-21-22(18-20)25-9-6-16-28(25)19-23(21)24-8-2-3-12-26-24/h2-3,8,10-12,18,23,25H,1,4-7,9,13-17,19H2/t23-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	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))	BDBM50216249 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1 Show InChI InChI=1S/C25H33N3O/c1-4-13-27(14-5-1)15-7-17-29-20-10-11-21-22(18-20)25-9-6-16-28(25)19-23(21)24-8-2-3-12-26-24/h2-3,8,10-12,18,23,25H,1,4-7,9,13-17,19H2/t23-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.7	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