BDBM50195255 CHEMBL3945475::US10287258, Example 6::US10669245, Example 6

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

InChI Key: InChIKey=USBDHHJQNTYSNJ-PMACEKPBSA-N

Data: 3 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 = 50195255   

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))	BDBM50195255 (CHEMBL3945475 | US10287258, Example 6 | US10669245...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-19(13-26)28-21(29)20-14-27-10-1-11-30-20/h2-9,19-20,27H,1,10-12,14H2,(H,28,29)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay				J Med Chem 59: 9457-9472 (2016) Article DOI: 10.1021/acs.jmedchem.6b01127 BindingDB Entry DOI: 10.7270/Q2Z321K4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50195255 (CHEMBL3945475 | US10287258, Example 6 | US10669245...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-19(13-26)28-21(29)20-14-27-10-1-11-30-20/h2-9,19-20,27H,1,10-12,14H2,(H,28,29)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.3	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
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50195255 (CHEMBL3945475 | US10287258, Example 6 | US10669245...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-19(13-26)28-21(29)20-14-27-10-1-11-30-20/h2-9,19-20,27H,1,10-12,14H2,(H,28,29)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.3	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