BDBM50195238 CHEMBL3962926::US10287258, Example 20::US10669245, Example 20

SMILES: CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1

InChI Key: InChIKey=QKDQSHLZLZUQOA-UGKGYDQZSA-N

Data: 4 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 4 hits for monomerid = 50195238   

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))	BDBM50195238 (CHEMBL3962926 | US10287258, Example 20 | US1066924...) Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c1-28-20-12-18(7-8-21(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)22-14-26-9-2-10-31-22/h3-8,12,19,22,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,22-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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))	BDBM50195238 (CHEMBL3962926 | US10287258, Example 20 | US1066924...) Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c1-28-20-12-18(7-8-21(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)22-14-26-9-2-10-31-22/h3-8,12,19,22,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,22-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	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))	BDBM50195238 (CHEMBL3962926 | US10287258, Example 20 | US1066924...) Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c1-28-20-12-18(7-8-21(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)22-14-26-9-2-10-31-22/h3-8,12,19,22,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,22-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	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))	BDBM50195238 (CHEMBL3962926 | US10287258, Example 20 | US1066924...) Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c1-28-20-12-18(7-8-21(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)22-14-26-9-2-10-31-22/h3-8,12,19,22,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,22-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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 DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence 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