BDBM50118336 1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8-yl-piperazin-1-yl)-propan-1-ol;::1-(5-fluorobenzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol::CHEMBL339501

SMILES: OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12

InChI Key: InChIKey=HOSAPRPVTWOIOP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50118336   

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))	BDBM50118336 (1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...) Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal da Para£ba Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A				Eur J Med Chem 45: 1508-14 (2010) Article DOI: 10.1016/j.ejmech.2009.12.059 BindingDB Entry DOI: 10.7270/Q2HX1DX1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50118336 (1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...) Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat frontal cortex 5-HT1A receptor measured after 15 mins				Bioorg Med Chem Lett 27: 5420-5423 (2017) Article DOI: 10.1016/j.bmcl.2017.11.007 BindingDB Entry DOI: 10.7270/Q2GX4F4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50118336 (1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...) Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates				J Med Chem 45: 4128-39 (2002) BindingDB Entry DOI: 10.7270/Q2X63M87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50118336 (1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...) Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against Beta-glucosidase from Yeast				J Med Chem 59: 810-40 (2016) BindingDB Entry DOI: 10.7270/Q2XS5X8K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118336 (1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...) Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from rat cortical membranes measured after 60 mins				Bioorg Med Chem Lett 27: 5420-5423 (2017) Article DOI: 10.1016/j.bmcl.2017.11.007 BindingDB Entry DOI: 10.7270/Q2GX4F4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118336 (1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...) Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates				J Med Chem 45: 4128-39 (2002) BindingDB Entry DOI: 10.7270/Q2X63M87
					More data for this Ligand-Target Pair