null

SMILES: CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

InChI Key: InChIKey=ZEPKFVIFLHUZKL-LJQANCHMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50376991   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50376991 (CHEMBL401502) Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco-2 cells after 1 hr				Bioorg Med Chem Lett 18: 3158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.04.075 BindingDB Entry DOI: 10.7270/Q2ZP470M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50376991 (CHEMBL401502) Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.04.075 BindingDB Entry DOI: 10.7270/Q2ZP470M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50376991 (CHEMBL401502) Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.04.075 BindingDB Entry DOI: 10.7270/Q2ZP470M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50376991 (CHEMBL401502) Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco-2 cells after 1 hr				Bioorg Med Chem Lett 18: 3158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.04.075 BindingDB Entry DOI: 10.7270/Q2ZP470M
					More data for this Ligand-Target Pair