BDBM50216253 (6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-2-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL391829

SMILES: C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1

InChI Key: InChIKey=QMAAXHLTCZIRDL-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 = 50216253   

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))	BDBM50216253 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-2-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1 Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-15-17(27-11-2-7-24-9-12-26-13-10-24)4-5-18(19)20(16-25(21)8-1)22-23-6-14-28-22/h4-6,14-15,20-21H,1-3,7-13,16H2/t20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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))	BDBM50216253 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-2-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1 Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-15-17(27-11-2-7-24-9-12-26-13-10-24)4-5-18(19)20(16-25(21)8-1)22-23-6-14-28-22/h4-6,14-15,20-21H,1-3,7-13,16H2/t20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	53.3	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 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))	BDBM50216253 ((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-2-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1 Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-15-17(27-11-2-7-24-9-12-26-13-10-24)4-5-18(19)20(16-25(21)8-1)22-23-6-14-28-22/h4-6,14-15,20-21H,1-3,7-13,16H2/t20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	291	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