BDBM50097909 1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulfinyl)benzene-piperidin-4-ol::4-(oxidosulfanyl)benzenemethyl-1-[2-(5-fluoro-1H-indol-3-yl)-ethyl]-piperidin-4-ol::CHEMBL59413

SMILES: OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1

InChI Key: InChIKey=VWIWOPFCNLLGBQ-MUUNZHRXSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50097909   

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
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50097909 (1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulf...) Show SMILES OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 |r| Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon				Citation and Details BindingDB Entry DOI: 10.7270/Q2R78HDG
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50097909 (1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulf...) Show SMILES OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 |r| Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon				Citation and Details BindingDB Entry DOI: 10.7270/Q2R78HDG
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (GUINEA PIG)	BDBM50097909 (1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulf...) Show SMILES OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 |r| Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2R78HDG
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50097909 (1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulf...) Show SMILES OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 |r| Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Binding affinity of the compound for heterologously expressed human Tachykinin receptor 2 using [3H]-SR- 48968 as radioligand				Bioorg Med Chem Lett 11: 819-22 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JMD
					More data for this Ligand-Target Pair