BDBM50135265 (S)-1-[(2S,4R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(2-methyl-1H-indol-4-yloxy)-propan-2-ol::CHEMBL129082

SMILES: C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1

InChI Key: InChIKey=JCVBXOOINMDPNB-OTWHNJEPSA-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 = 50135265   

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))	BDBM50135265 ((S)-1-[(2S,4R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1 Show InChI InChI=1S/C26H29FN2O2S/c1-16-11-21-23(28-16)6-4-7-24(21)31-15-19(30)14-29-10-9-18(12-17(29)2)26-13-20-22(27)5-3-8-25(20)32-26/h3-8,11,13,17-19,28,30H,9-10,12,14-15H2,1-2H3/t17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	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))	BDBM50135265 ((S)-1-[(2S,4R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1 Show InChI InChI=1S/C26H29FN2O2S/c1-16-11-21-23(28-16)6-4-7-24(21)31-15-19(30)14-29-10-9-18(12-17(29)2)26-13-20-22(27)5-3-8-25(20)32-26/h3-8,11,13,17-19,28,30H,9-10,12,14-15H2,1-2H3/t17-,18+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.920	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