BDBM50135245 (S)-1-[(2R,4R)-4-(4-Methoxy-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(2-methyl-benzofuran-4-yloxy)-propan-2-ol::CHEMBL338372

SMILES: COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1

InChI Key: InChIKey=NNWMNOCTZDIGBT-RLLQIKCJSA-N

Data: 2 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 2 hits for monomerid = 50135245   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50135245 ((S)-1-[(2R,4R)-4-(4-Methoxy-benzo[b]thiophen-2-yl)...) Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1 Show InChI InChI=1S/C27H31NO4S/c1-17-12-19(27-14-22-23(30-3)6-5-9-26(22)33-27)10-11-28(17)15-20(29)16-31-24-7-4-8-25-21(24)13-18(2)32-25/h4-9,13-14,17,19-20,29H,10-12,15-16H2,1-3H3/t17-,19-,20+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 13: 3939-42 (2003) BindingDB Entry DOI: 10.7270/Q24T6HSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50135245 ((S)-1-[(2R,4R)-4-(4-Methoxy-benzo[b]thiophen-2-yl)...) Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1 Show InChI InChI=1S/C27H31NO4S/c1-17-12-19(27-14-22-23(30-3)6-5-9-26(22)33-27)10-11-28(17)15-20(29)16-31-24-7-4-8-25-21(24)13-18(2)32-25/h4-9,13-14,17,19-20,29H,10-12,15-16H2,1-3H3/t17-,19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes				Bioorg Med Chem Lett 13: 3939-42 (2003) BindingDB Entry DOI: 10.7270/Q24T6HSX
					More data for this Ligand-Target Pair