BDBM50195244 CHEMBL3926554::US10287258, Example 24::US10669245, Example 24

SMILES: Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1

InChI Key: InChIKey=BQIZWZAQEICNDG-GMAHTHKFSA-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 = 50195244   

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))	BDBM50195244 (CHEMBL3926554 | US10287258, Example 24 | US1066924...) Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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))	BDBM50195244 (CHEMBL3926554 | US10287258, Example 24 | US1066924...) Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	13.8	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))	BDBM50195244 (CHEMBL3926554 | US10287258, Example 24 | US1066924...) Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	13.8	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))	BDBM50195244 (CHEMBL3926554 | US10287258, Example 24 | US1066924...) Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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