BDBM50388117 CHEMBL2058969

SMILES: O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1

InChI Key: InChIKey=BMXBRFOOCBUQMA-LPHOPBHVSA-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 = 50388117   

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))	BDBM50388117 (CHEMBL2058969) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/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	0.950	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))	BDBM50388117 (CHEMBL2058969) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50388117 (CHEMBL2058969) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase IV (Rattus norvegicus (rat))	BDBM50388117 (CHEMBL2058969) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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