BDBM50216244 (6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-5-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL247136

SMILES: C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1

InChI Key: InChIKey=VYEDDDWXKRDQRX-NHCUHLMSSA-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 = 50216244   

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))	BDBM50216244 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-5-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1 Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-13-17(27-10-2-6-24-8-11-26-12-9-24)4-5-18(19)20(15-25(21)7-1)22-14-23-16-28-22/h4-5,13-14,16,20-21H,1-3,6-12,15H2/t20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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 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))	BDBM50216244 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-5-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1 Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-13-17(27-10-2-6-24-8-11-26-12-9-24)4-5-18(19)20(15-25(21)7-1)22-14-23-16-28-22/h4-5,13-14,16,20-21H,1-3,6-12,15H2/t20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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))	BDBM50216244 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-5-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1 Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-13-17(27-10-2-6-24-8-11-26-12-9-24)4-5-18(19)20(15-25(21)7-1)22-14-23-16-28-22/h4-5,13-14,16,20-21H,1-3,6-12,15H2/t20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.7	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