BDBM50375239 CHEMBL257036

SMILES: NCc1ccccc1-c1ccccc1

InChI Key: InChIKey=YHXKXVFQHWJYOD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50375239   

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))	BDBM50375239 (CHEMBL257036) Show SMILES NCc1ccccc1-c1ccccc1 Show InChI InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 22: 6628-31 (2012) Article DOI: 10.1016/j.bmcl.2012.08.110 BindingDB Entry DOI: 10.7270/Q2X34ZKR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50375239 (CHEMBL257036) Show SMILES NCc1ccccc1-c1ccccc1 Show InChI InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dipeptidyl peptidase 4 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0455-6 BindingDB Entry DOI: 10.7270/Q2HH6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50375239 (CHEMBL257036) Show SMILES NCc1ccccc1-c1ccccc1 Show InChI InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	3.00E+4	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)