BDBM50086238 CHEMBL3425748

SMILES: [H][C@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F

InChI Key: InChIKey=LCCNKZPGMKJBKG-NSODJVPESA-N

Data: 3 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 3 hits for monomerid = 50086238   

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))	BDBM50086238 (CHEMBL3425748) Show SMILES [H][C@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12-,16-/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	145	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC substrate incubated for 15 mins by fluorescent AMC release assay				ACS Med Chem Lett 6: 324-8 (2015) Article DOI: 10.1021/ml500503n BindingDB Entry DOI: 10.7270/Q2FB54PM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50086238 (CHEMBL3425748) Show SMILES [H][C@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12-,16-/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	145	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50086238 (CHEMBL3425748) Show SMILES [H][C@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12-,16-/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	537	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC substrate incubated for 15 mins by fluorescent AMC release assay				ACS Med Chem Lett 6: 324-8 (2015) Article DOI: 10.1021/ml500503n BindingDB Entry DOI: 10.7270/Q2FB54PM
					More data for this Ligand-Target Pair