BDBM50388120 CHEMBL2058759

SMILES: FC(F)(F)c1ccc2c(ccnc2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1

InChI Key: InChIKey=KDBWPKFIMACHKK-LPHOPBHVSA-N

Data: 2 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 2 hits for monomerid = 50388120   

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 IV (Rattus norvegicus (rat))	BDBM50388120 (CHEMBL2058759) Show SMILES FC(F)(F)c1ccc2c(ccnc2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C22H26F3N5OS/c23-22(24,25)15-1-2-17-18(11-15)26-4-3-20(17)29-7-5-28(6-8-29)16-12-19(27-13-16)21(31)30-9-10-32-14-30/h1-4,11,16,19,27H,5-10,12-14H2/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	1.30	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 4 (Homo sapiens (Human))	BDBM50388120 (CHEMBL2058759) Show SMILES FC(F)(F)c1ccc2c(ccnc2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C22H26F3N5OS/c23-22(24,25)15-1-2-17-18(11-15)26-4-3-20(17)29-7-5-28(6-8-29)16-12-19(27-13-16)21(31)30-9-10-32-14-30/h1-4,11,16,19,27H,5-10,12-14H2/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	1.60	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