BindingDB PrimarySearch

BDBM50232501 (2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6-dihydro[[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine hydrochloride::CHEMBL540888

SMILES: N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=VVYNDQBBGPUYHW-MJTSIZKDSA-N

Data: 14 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50232501
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Xaa-Pro aminopeptidase 1 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of amino peptidase P				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP9				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP9				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of QPP				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	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	131	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Xaa-Pro dipeptidase (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of prolidase				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of FAP				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of QPP				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Xaa-Pro aminopeptidase 1 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of amino peptidase P				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP8				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of FAP				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Xaa-Pro dipeptidase (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of prolidase				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP8				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair