BDBM50338474 CHEMBL1683108::trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,3,5-trimethylisoxazole-4-carboxamide

SMILES: CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c(C)noc1C

InChI Key: InChIKey=GZZJGNXXRICIGM-LSBZLQRGSA-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 = 50338474   

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))	BDBM50338474 (CHEMBL1683108 | 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)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.5,(.68,-31.13,;.68,-29.59,;-.65,-28.81,;-1.99,-29.58,;-3.32,-28.81,;-3.31,-27.27,;-1.99,-26.49,;-.65,-27.27,;-4.64,-26.51,;-4.65,-24.97,;-5.98,-27.28,;-7.31,-26.51,;-7.32,-24.96,;-8.65,-24.2,;-8.66,-22.66,;-9.98,-24.97,;-9.98,-26.51,;-8.65,-27.28,;-8.65,-28.82,;2.02,-28.82,;2.02,-27.28,;3.35,-29.59,;4.76,-28.96,;5.08,-27.46,;5.79,-30.11,;5.02,-31.44,;3.51,-31.12,;2.37,-32.15,)| Show InChI InChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14-,17-,19-/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))	BDBM50338474 (CHEMBL1683108 | 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)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.5,(.68,-31.13,;.68,-29.59,;-.65,-28.81,;-1.99,-29.58,;-3.32,-28.81,;-3.31,-27.27,;-1.99,-26.49,;-.65,-27.27,;-4.64,-26.51,;-4.65,-24.97,;-5.98,-27.28,;-7.31,-26.51,;-7.32,-24.96,;-8.65,-24.2,;-8.66,-22.66,;-9.98,-24.97,;-9.98,-26.51,;-8.65,-27.28,;-8.65,-28.82,;2.02,-28.82,;2.02,-27.28,;3.35,-29.59,;4.76,-28.96,;5.08,-27.46,;5.79,-30.11,;5.02,-31.44,;3.51,-31.12,;2.37,-32.15,)| Show InChI InChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14-,17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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))	BDBM50338474 (CHEMBL1683108 | 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)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.5,(.68,-31.13,;.68,-29.59,;-.65,-28.81,;-1.99,-29.58,;-3.32,-28.81,;-3.31,-27.27,;-1.99,-26.49,;-.65,-27.27,;-4.64,-26.51,;-4.65,-24.97,;-5.98,-27.28,;-7.31,-26.51,;-7.32,-24.96,;-8.65,-24.2,;-8.66,-22.66,;-9.98,-24.97,;-9.98,-26.51,;-8.65,-27.28,;-8.65,-28.82,;2.02,-28.82,;2.02,-27.28,;3.35,-29.59,;4.76,-28.96,;5.08,-27.46,;5.79,-30.11,;5.02,-31.44,;3.51,-31.12,;2.37,-32.15,)| Show InChI InChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14-,17-,19-/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	140	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))	BDBM50338474 (CHEMBL1683108 | 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)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.5,(.68,-31.13,;.68,-29.59,;-.65,-28.81,;-1.99,-29.58,;-3.32,-28.81,;-3.31,-27.27,;-1.99,-26.49,;-.65,-27.27,;-4.64,-26.51,;-4.65,-24.97,;-5.98,-27.28,;-7.31,-26.51,;-7.32,-24.96,;-8.65,-24.2,;-8.66,-22.66,;-9.98,-24.97,;-9.98,-26.51,;-8.65,-27.28,;-8.65,-28.82,;2.02,-28.82,;2.02,-27.28,;3.35,-29.59,;4.76,-28.96,;5.08,-27.46,;5.79,-30.11,;5.02,-31.44,;3.51,-31.12,;2.37,-32.15,)| Show InChI InChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14-,17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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))	BDBM50338474 (CHEMBL1683108 | 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)c1c(C)noc1C |r,wU:8.9,2.1,wD:5.5,(.68,-31.13,;.68,-29.59,;-.65,-28.81,;-1.99,-29.58,;-3.32,-28.81,;-3.31,-27.27,;-1.99,-26.49,;-.65,-27.27,;-4.64,-26.51,;-4.65,-24.97,;-5.98,-27.28,;-7.31,-26.51,;-7.32,-24.96,;-8.65,-24.2,;-8.66,-22.66,;-9.98,-24.97,;-9.98,-26.51,;-8.65,-27.28,;-8.65,-28.82,;2.02,-28.82,;2.02,-27.28,;3.35,-29.59,;4.76,-28.96,;5.08,-27.46,;5.79,-30.11,;5.02,-31.44,;3.51,-31.12,;2.37,-32.15,)| Show InChI InChI=1S/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14-,17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+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