BDBM385068 (2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1,3- benzoxazol-5-yl]phenyl}ethyl]-1,4-oxazepane-2-carboxamide::US10287258, Example 28::US10669245, Example 28

SMILES: FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1

InChI Key: InChIKey=KAGSLWGZQVTFPB-RXVVDRJESA-N

Data: 2 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 3 hits for monomerid = 385068   

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 I (Homo sapiens (Human))	BDBM385068 ((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...) Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...				J Med Chem 51: 7049-52 (2008) BindingDB Entry DOI: 10.7270/Q2RJ4MTP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM385068 ((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...) Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM385068 ((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...) Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.13	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...				US Patent US10669245 (2020)
					More data for this Ligand-Target Pair