BDBM50354612 CHEMBL1834350

SMILES: CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1

InChI Key: InChIKey=XEWOFIPWWSYNAY-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50354612   

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))	BDBM50354612 (CHEMBL1834350) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50354612 (CHEMBL1834350) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	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 Inhibition of human 5-HT3 receptor				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))	BDBM50354612 (CHEMBL1834350) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25| Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21)	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	7.94E+3	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