BDBM50236836 CHEMBL4073586

SMILES: CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=PIQRFUCZSGOHKB-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50236836   

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))	BDBM50236836 (CHEMBL4073586) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(21-8-5-18(28-2)13-20(16)21)29(26,27)19-6-3-17(22)4-7-19/h3-8,13,15H,9-12,14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50236836 (CHEMBL4073586) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(21-8-5-18(28-2)13-20(16)21)29(26,27)19-6-3-17(22)4-7-19/h3-8,13,15H,9-12,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50236836 (CHEMBL4073586) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(21-8-5-18(28-2)13-20(16)21)29(26,27)19-6-3-17(22)4-7-19/h3-8,13,15H,9-12,14H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair