BDBM50338472 CHEMBL1683106::trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylisoxazole-5-carboxamide

SMILES: CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1

InChI Key: InChIKey=IDGAWOHGRIKCMX-SRCQZFHVSA-N

Data: 5 IC50

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 5 hits for monomerid = 50338472   

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
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50338472 (CHEMBL1683106 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1 |r,wU:8.9,2.1,wD:5.5,(34.24,-23.67,;34.24,-22.13,;32.91,-21.35,;31.57,-22.12,;30.25,-21.35,;30.25,-19.82,;31.58,-19.04,;32.91,-19.81,;28.92,-19.05,;28.91,-17.51,;27.58,-19.82,;26.25,-19.05,;26.24,-17.5,;24.91,-16.74,;24.9,-15.2,;23.58,-17.51,;23.58,-19.05,;24.91,-19.82,;24.91,-21.36,;35.58,-21.36,;35.58,-19.82,;36.91,-22.13,;37.07,-23.66,;38.58,-23.98,;39.35,-22.65,;38.32,-21.5,)| Show InChI InChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12-,15-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.50E+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 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50338472 (CHEMBL1683106 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1 |r,wU:8.9,2.1,wD:5.5,(34.24,-23.67,;34.24,-22.13,;32.91,-21.35,;31.57,-22.12,;30.25,-21.35,;30.25,-19.82,;31.58,-19.04,;32.91,-19.81,;28.92,-19.05,;28.91,-17.51,;27.58,-19.82,;26.25,-19.05,;26.24,-17.5,;24.91,-16.74,;24.9,-15.2,;23.58,-17.51,;23.58,-19.05,;24.91,-19.82,;24.91,-21.36,;35.58,-21.36,;35.58,-19.82,;36.91,-22.13,;37.07,-23.66,;38.58,-23.98,;39.35,-22.65,;38.32,-21.5,)| Show InChI InChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12-,15-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+4	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 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50338472 (CHEMBL1683106 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1 |r,wU:8.9,2.1,wD:5.5,(34.24,-23.67,;34.24,-22.13,;32.91,-21.35,;31.57,-22.12,;30.25,-21.35,;30.25,-19.82,;31.58,-19.04,;32.91,-19.81,;28.92,-19.05,;28.91,-17.51,;27.58,-19.82,;26.25,-19.05,;26.24,-17.5,;24.91,-16.74,;24.9,-15.2,;23.58,-17.51,;23.58,-19.05,;24.91,-19.82,;24.91,-21.36,;35.58,-21.36,;35.58,-19.82,;36.91,-22.13,;37.07,-23.66,;38.58,-23.98,;39.35,-22.65,;38.32,-21.5,)| Show InChI InChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12-,15-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	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 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50338472 (CHEMBL1683106 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1 |r,wU:8.9,2.1,wD:5.5,(34.24,-23.67,;34.24,-22.13,;32.91,-21.35,;31.57,-22.12,;30.25,-21.35,;30.25,-19.82,;31.58,-19.04,;32.91,-19.81,;28.92,-19.05,;28.91,-17.51,;27.58,-19.82,;26.25,-19.05,;26.24,-17.5,;24.91,-16.74,;24.9,-15.2,;23.58,-17.51,;23.58,-19.05,;24.91,-19.82,;24.91,-21.36,;35.58,-21.36,;35.58,-19.82,;36.91,-22.13,;37.07,-23.66,;38.58,-23.98,;39.35,-22.65,;38.32,-21.5,)| Show InChI InChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12-,15-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50338472 (CHEMBL1683106 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1 |r,wU:8.9,2.1,wD:5.5,(34.24,-23.67,;34.24,-22.13,;32.91,-21.35,;31.57,-22.12,;30.25,-21.35,;30.25,-19.82,;31.58,-19.04,;32.91,-19.81,;28.92,-19.05,;28.91,-17.51,;27.58,-19.82,;26.25,-19.05,;26.24,-17.5,;24.91,-16.74,;24.9,-15.2,;23.58,-17.51,;23.58,-19.05,;24.91,-19.82,;24.91,-21.36,;35.58,-21.36,;35.58,-19.82,;36.91,-22.13,;37.07,-23.66,;38.58,-23.98,;39.35,-22.65,;38.32,-21.5,)| Show InChI InChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12-,15-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+4	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 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
					More data for this Ligand-Target Pair