BDBM50216252 (6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophen-2-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL246716

SMILES: C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1

InChI Key: InChIKey=FJWNUBKVWQZAGY-DHIUTWEWSA-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 = 50216252   

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))	BDBM50216252 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50216252 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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))	BDBM50216252 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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