BDBM50336820 CHEMBL1672127::[5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid hydrate

SMILES: CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O

InChI Key: InChIKey=HQVOROHHYWZJLD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50336820   

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))	BDBM50336820 (CHEMBL1672127 | [5-(Aminomethyl)-6-(2,2-dimethylpr...) Show SMILES CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O Show InChI InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50336820 (CHEMBL1672127 | [5-(Aminomethyl)-6-(2,2-dimethylpr...) Show SMILES CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O Show InChI InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged human DPP9 expressed in human 293F cells after 90 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50336820 (CHEMBL1672127 | [5-(Aminomethyl)-6-(2,2-dimethylpr...) Show SMILES CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O Show InChI InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL 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 Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged human DPP8 expressed in human 293F cells after 90 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase II (Rattus norvegicus)	BDBM50336820 (CHEMBL1672127 | [5-(Aminomethyl)-6-(2,2-dimethylpr...) Show SMILES CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O Show InChI InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of rat kidney DPP2 after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair