BDBM50354593 CHEMBL1834345

SMILES: CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1

InChI Key: InChIKey=RQYRFYXSSOVCAN-UHFFFAOYSA-N

Data: 2 KI  5 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 7 hits for monomerid = 50354593   

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))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...				Bioorg Med Chem Lett 26: 1605-11 (2016) BindingDB Entry DOI: 10.7270/Q2JS9SBX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of CYP 2D6				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of CYP 2C9				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of CYP 2C19				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of CYP 1A2				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
					More data for this Ligand-Target Pair