BDBM50364311 CHEMBL1949763

SMILES: Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1

InChI Key: InChIKey=RMRXWRZPFIBGQU-RDJZCZTQSA-N

Data: 4 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 5 hits for monomerid = 50364311   

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))	BDBM50364311 (CHEMBL1949763) Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor				Bioorg Med Chem Lett 22: 1421-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364311 (CHEMBL1949763) Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor				Bioorg Med Chem Lett 22: 1421-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (RAT)	BDBM50364311 (CHEMBL1949763) Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from rat recombinant 5HT6 receptor				Bioorg Med Chem Lett 22: 1421-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364311 (CHEMBL1949763) Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor				Bioorg Med Chem Lett 22: 1421-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364311 (CHEMBL1949763) Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production				Bioorg Med Chem Lett 22: 1421-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1
					More data for this Ligand-Target Pair