BDBM50150090 CHEMBL125902::[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(quinoxalin-5-yloxy)-ethyl]-amine

SMILES: Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1

InChI Key: InChIKey=VWAVMVBNSJOHSA-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 = 50150090   

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))	BDBM50150090 (CHEMBL125902 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1 Show InChI InChI=1S/C21H21FN4O/c22-16-6-7-18-17(13-16)15(14-26-18)3-2-8-23-11-12-27-20-5-1-4-19-21(20)25-10-9-24-19/h1,4-7,9-10,13-14,23,26H,2-3,8,11-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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))	BDBM50150090 (CHEMBL125902 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1 Show InChI InChI=1S/C21H21FN4O/c22-16-6-7-18-17(13-16)15(14-26-18)3-2-8-23-11-12-27-20-5-1-4-19-21(20)25-10-9-24-19/h1,4-7,9-10,13-14,23,26H,2-3,8,11-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	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))	BDBM50150090 (CHEMBL125902 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1 Show InChI InChI=1S/C21H21FN4O/c22-16-6-7-18-17(13-16)15(14-26-18)3-2-8-23-11-12-27-20-5-1-4-19-21(20)25-10-9-24-19/h1,4-7,9-10,13-14,23,26H,2-3,8,11-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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))	BDBM50150090 (CHEMBL125902 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1 Show InChI InChI=1S/C21H21FN4O/c22-16-6-7-18-17(13-16)15(14-26-18)3-2-8-23-11-12-27-20-5-1-4-19-21(20)25-10-9-24-19/h1,4-7,9-10,13-14,23,26H,2-3,8,11-12H2	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	46	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))	BDBM50150090 (CHEMBL125902 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1 Show InChI InChI=1S/C21H21FN4O/c22-16-6-7-18-17(13-16)15(14-26-18)3-2-8-23-11-12-27-20-5-1-4-19-21(20)25-10-9-24-19/h1,4-7,9-10,13-14,23,26H,2-3,8,11-12H2	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	13.7	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