BDBM50150086 CHEMBL127171::[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(5-fluoro-2-methoxy-phenoxy)-ethyl]-amine

SMILES: COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12

InChI Key: InChIKey=JVZKOTRMFQSGLN-UHFFFAOYSA-N

Data: 2 KI  1 IC50  2 EC50

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 5 hits for monomerid = 50150086   

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))	BDBM50150086 (CHEMBL127171 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50150086 (CHEMBL127171 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]-8-OH-DPAT radioligand				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50150086 (CHEMBL127171 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50150086 (CHEMBL127171 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration against binding of radioligand [35]GTPgammaS in CHO cells expressing human 5-hydroxytryptamine 1A receptor				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50150086 (CHEMBL127171 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration against human 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair