BDBM50423967 CHEMBL2057417

SMILES: Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl

InChI Key: InChIKey=XNCQMFVABACABG-UHFFFAOYSA-N

Data: 10 EC50

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 = 50423967   

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
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (RAT)	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat muscarinic M5 receptor assessed as acetylcholine response				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic M5 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat muscarinic M3 receptor assessed as acetylcholine response				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	176	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat muscarinic M4 receptor assessed as acetylcholine response				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat muscarinic M2 receptor assessed as acetylcholine response				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic M2 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat muscarinic M1 receptor assessed as acetylcholine response				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50423967 (CHEMBL2057417) Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic M3 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair