BDBM50300828 2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine::CHEMBL571858::N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N,N-dimethylamine::WAY-208466

SMILES: CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=SFSFIDVAEMDPIP-UHFFFAOYSA-N

Data: 3 KI  5 IC50  3 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 11 hits for monomerid = 50300828   

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 6 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HeLa cells				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells by scintillation counter				J Med Chem 58: 7901-12 (2015) BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human HT6 receptor expressed in human HeLa cells				Bioorg Med Chem Lett 19: 6935-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.067 BindingDB Entry DOI: 10.7270/Q20K28PH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO-K1 cells				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human cloned 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human HT6 receptor expressed in human HeLa cells assessed as intracellular cAMP level by radioimmunoassay				Bioorg Med Chem Lett 19: 6935-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.067 BindingDB Entry DOI: 10.7270/Q20K28PH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human cloned 5HT6 receptor expressed in HeLa cells assessed as induction of adenylyl cyclase activity by RIA				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5HT7 receptor expressed in CHO cells				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	644	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human cloned 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Agonist activity at human 5-HT6 receptor expressed in HeLa cells after 10 mins by scintillation proximity assay				J Med Chem 58: 7901-12 (2015) BindingDB Entry DOI: 10.7270/Q2M90BGQ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50300828 (2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...) Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO-K1 cells				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair