BDBM50424117 CHEMBL2315680

SMILES: CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=GRLHAVISXZHNTO-OAHLLOKOSA-N

Data: 7 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 = 50424117   

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 M1 (RAT)	BDBM50424117 (CHEMBL2315680) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response				Bioorg Med Chem Lett 23: 223-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.132 BindingDB Entry DOI: 10.7270/Q2TM7CF9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50424117 (CHEMBL2315680) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response				Bioorg Med Chem Lett 23: 223-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.132 BindingDB Entry DOI: 10.7270/Q2TM7CF9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50424117 (CHEMBL2315680) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response				Bioorg Med Chem Lett 23: 223-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.132 BindingDB Entry DOI: 10.7270/Q2TM7CF9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50424117 (CHEMBL2315680) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response				Bioorg Med Chem Lett 23: 223-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.132 BindingDB Entry DOI: 10.7270/Q2TM7CF9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50424117 (CHEMBL2315680) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response				Bioorg Med Chem Lett 23: 223-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.132 BindingDB Entry DOI: 10.7270/Q2TM7CF9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50424117 (CHEMBL2315680) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response				Bioorg Med Chem Lett 23: 223-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.132 BindingDB Entry DOI: 10.7270/Q2TM7CF9
					More data for this Ligand-Target Pair
CHRM5 (RAT)	BDBM50424117 (CHEMBL2315680) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M5 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response				Bioorg Med Chem Lett 23: 223-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.132 BindingDB Entry DOI: 10.7270/Q2TM7CF9
					More data for this Ligand-Target Pair