BindingDB PrimarySearch

BDBM50212927 (1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine::(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE::CHEMBL233360::CHEMBL233360 (15)

SMILES: N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F

InChI Key: InChIKey=CNKRZILQBKJWDS-WMFXKJRFSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50212927
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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.				Chem Biol Drug Des 84: 364-77 (2014) Article DOI: 10.1111/cbdd.12327 BindingDB Entry DOI: 10.7270/Q2D21W96
China Pharmaceutical University					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of FAP				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	21	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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of QPP				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)