BDBM50375237 CHEMBL272114

SMILES: Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl

InChI Key: InChIKey=YJLVMTVZVJSNHG-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50375237   

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 (DPP4) (Homo sapiens (human))	BDBM50375237 (CHEMBL272114) Show SMILES Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl Show InChI InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 18: 2362-7 (2008) Article DOI: 10.1016/j.bmcl.2008.02.071 BindingDB Entry DOI: 10.7270/Q29P32GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase VIII (Homo sapiens (human))	BDBM50375237 (CHEMBL272114) Show SMILES Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl Show InChI InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 18: 2362-7 (2008) Article DOI: 10.1016/j.bmcl.2008.02.071 BindingDB Entry DOI: 10.7270/Q29P32GJ
					More data for this Ligand-Target Pair