BDBM50216242 (6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL439389

SMILES: C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1

InChI Key: InChIKey=KAZRKJFTFFKZLF-XZOQPEGZSA-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 = 50216242   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50216242 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1 Show InChI InChI=1S/C23H30N2O2S/c1-3-23-21-15-19(27-11-2-7-24-9-12-26-13-10-24)4-5-20(21)22(16-25(23)8-1)18-6-14-28-17-18/h4-6,14-15,17,22-23H,1-3,7-13,16H2/t22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50216242 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1 Show InChI InChI=1S/C23H30N2O2S/c1-3-23-21-15-19(27-11-2-7-24-9-12-26-13-10-24)4-5-20(21)22(16-25(23)8-1)18-6-14-28-17-18/h4-6,14-15,17,22-23H,1-3,7-13,16H2/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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 (Homo sapiens (Human))	BDBM50216242 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1 Show InChI InChI=1S/C23H30N2O2S/c1-3-23-21-15-19(27-11-2-7-24-9-12-26-13-10-24)4-5-20(21)22(16-25(23)8-1)18-6-14-28-17-18/h4-6,14-15,17,22-23H,1-3,7-13,16H2/t22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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