BDBM50206043 ((2S,4S)-4-(4-(5-nitropyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone::CHEMBL399610

SMILES: [O-][N+](=O)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1

InChI Key: InChIKey=MAZMJZPWHREVQB-GJZGRUSLSA-N

Data: 4 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 4 hits for monomerid = 50206043   

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))	BDBM50206043 (((2S,4S)-4-(4-(5-nitropyridin-2-yl)piperazin-1-yl)...) Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 Show InChI InChI=1S/C17H24N6O3S/c24-17(22-7-8-27-12-22)15-9-14(11-18-15)20-3-5-21(6-4-20)16-2-1-13(10-19-16)23(25)26/h1-2,10,14-15,18H,3-9,11-12H2/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma by fluorescence assay				Bioorg Med Chem Lett 17: 2618-21 (2007) Article DOI: 10.1016/j.bmcl.2007.01.110 BindingDB Entry DOI: 10.7270/Q29023GP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50206043 (((2S,4S)-4-(4-(5-nitropyridin-2-yl)piperazin-1-yl)...) Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 Show InChI InChI=1S/C17H24N6O3S/c24-17(22-7-8-27-12-22)15-9-14(11-18-15)20-3-5-21(6-4-20)16-2-1-13(10-19-16)23(25)26/h1-2,10,14-15,18H,3-9,11-12H2/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry				Bioorg Med Chem 20: 5033-41 (2012) Article DOI: 10.1016/j.bmc.2012.06.033 BindingDB Entry DOI: 10.7270/Q20Z74B2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase IV (Rattus norvegicus (rat))	BDBM50206043 (((2S,4S)-4-(4-(5-nitropyridin-2-yl)piperazin-1-yl)...) Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 Show InChI InChI=1S/C17H24N6O3S/c24-17(22-7-8-27-12-22)15-9-14(11-18-15)20-3-5-21(6-4-20)16-2-1-13(10-19-16)23(25)26/h1-2,10,14-15,18H,3-9,11-12H2/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry				Bioorg Med Chem 20: 5033-41 (2012) Article DOI: 10.1016/j.bmc.2012.06.033 BindingDB Entry DOI: 10.7270/Q20Z74B2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase IV (Rattus norvegicus (rat))	BDBM50206043 (((2S,4S)-4-(4-(5-nitropyridin-2-yl)piperazin-1-yl)...) Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 Show InChI InChI=1S/C17H24N6O3S/c24-17(22-7-8-27-12-22)15-9-14(11-18-15)20-3-5-21(6-4-20)16-2-1-13(10-19-16)23(25)26/h1-2,10,14-15,18H,3-9,11-12H2/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma by fluorescence assay				Bioorg Med Chem Lett 17: 2618-21 (2007) Article DOI: 10.1016/j.bmcl.2007.01.110 BindingDB Entry DOI: 10.7270/Q29023GP
					More data for this Ligand-Target Pair