BDBM50355852 CHEMBL1909725

SMILES: CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1

InChI Key: InChIKey=MWNVVXNYGOUFQJ-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 = 50355852   

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
NPY5R (Rat 6B)	BDBM50355852 (CHEMBL1909725) Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat NPY Y5 receptor				Bioorg Med Chem Lett 21: 6500-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.072 BindingDB Entry DOI: 10.7270/Q2V1257P
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50355852 (CHEMBL1909725) Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay				Bioorg Med Chem Lett 21: 6500-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.072 BindingDB Entry DOI: 10.7270/Q2V1257P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50355852 (CHEMBL1909725) Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 6500-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.072 BindingDB Entry DOI: 10.7270/Q2V1257P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50355852 (CHEMBL1909725) Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 6500-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.072 BindingDB Entry DOI: 10.7270/Q2V1257P
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50355852 (CHEMBL1909725) Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 6500-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.072 BindingDB Entry DOI: 10.7270/Q2V1257P
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50355852 (CHEMBL1909725) Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 6500-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.072 BindingDB Entry DOI: 10.7270/Q2V1257P
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50355852 (CHEMBL1909725) Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 21: 6500-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.072 BindingDB Entry DOI: 10.7270/Q2V1257P
					More data for this Ligand-Target Pair