BDBM50134807 3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]pyrimidin-(4E)-ylideneamine::CHEMBL355905

SMILES: CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=PUHRPYOPXGWCTE-UHFFFAOYSA-N

Data: 1 KI  9 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 10 hits for monomerid = 50134807   

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))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 6 receptor				J Med Chem 48: 4216-9 (2005) Checked by Author Article DOI: 10.1021/jm050247c BindingDB Entry DOI: 10.7270/Q2736SD0
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	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	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 2C9				J Med Chem 46: 4834-7 (2003) Article DOI: 10.1021/jm034142q BindingDB Entry DOI: 10.7270/Q25T3JWV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BzRes				J Med Chem 46: 4834-7 (2003) Article DOI: 10.1021/jm034142q BindingDB Entry DOI: 10.7270/Q25T3JWV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells				Bioorg Med Chem 22: 1782-90 (2014) Article DOI: 10.1016/j.bmc.2014.01.003 BindingDB Entry DOI: 10.7270/Q2PN98M5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 2D6				J Med Chem 46: 4834-7 (2003) Article DOI: 10.1021/jm034142q BindingDB Entry DOI: 10.7270/Q25T3JWV
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 1A2				J Med Chem 46: 4834-7 (2003) Article DOI: 10.1021/jm034142q BindingDB Entry DOI: 10.7270/Q25T3JWV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BFC				J Med Chem 46: 4834-7 (2003) Article DOI: 10.1021/jm034142q BindingDB Entry DOI: 10.7270/Q25T3JWV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute (CDRI) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux...				Bioorg Med Chem 21: 4614-27 (2013) Article DOI: 10.1016/j.bmc.2013.05.040 BindingDB Entry DOI: 10.7270/Q2DJ5JK0
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	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	860	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 19A1				J Med Chem 46: 4834-7 (2003) Article DOI: 10.1021/jm034142q BindingDB Entry DOI: 10.7270/Q25T3JWV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50134807 (3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...) Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 6 receptor using [3H]- LSD as radioligand				J Med Chem 46: 4834-7 (2003) Article DOI: 10.1021/jm034142q BindingDB Entry DOI: 10.7270/Q25T3JWV
					More data for this Ligand-Target Pair