BDBM50135251 (S)-1-[(2S,4R)-4-(4,6-Dimethyl-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(2-methyl-1H-indol-4-yloxy)-propan-2-ol::CHEMBL129605

SMILES: C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cc(C)cc2s1

InChI Key: InChIKey=QMPZARCIMMEYTD-BDTNDASRSA-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 = 50135251   

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))	BDBM50135251 ((S)-1-[(2S,4R)-4-(4,6-Dimethyl-benzo[b]thiophen-2-...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cc(C)cc2s1 Show InChI InChI=1S/C28H34N2O2S/c1-17-10-18(2)23-14-27(33-28(23)11-17)21-8-9-30(20(4)13-21)15-22(31)16-32-26-7-5-6-25-24(26)12-19(3)29-25/h5-7,10-12,14,20-22,29,31H,8-9,13,15-16H2,1-4H3/t20-,21+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50135251 ((S)-1-[(2S,4R)-4-(4,6-Dimethyl-benzo[b]thiophen-2-...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cc(C)cc2s1 Show InChI InChI=1S/C28H34N2O2S/c1-17-10-18(2)23-14-27(33-28(23)11-17)21-8-9-30(20(4)13-21)15-22(31)16-32-26-7-5-6-25-24(26)12-19(3)29-25/h5-7,10-12,14,20-22,29,31H,8-9,13,15-16H2,1-4H3/t20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	105	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