BDBM50195263 CHEMBL3942969::US10287258, Example 33::US10669245, Example 33

SMILES: O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2scnc2c1)C#N)[C@@H]1CNCCCO1

InChI Key: InChIKey=MUTKXUKCDAFWLB-ICSRJNTNSA-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 4 hits for monomerid = 50195263   

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))	BDBM50195263 (CHEMBL3942969 | US10287258, Example 33 | US1066924...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2scnc2c1)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2S/c23-12-18(26-22(27)20-13-24-8-1-9-28-20)10-15-2-4-16(5-3-15)17-6-7-21-19(11-17)25-14-29-21/h2-7,11,14,18,20,24H,1,8-10,13H2,(H,26,27)/t18-,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	63	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))	BDBM50195263 (CHEMBL3942969 | US10287258, Example 33 | US1066924...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2scnc2c1)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2S/c23-12-18(26-22(27)20-13-24-8-1-9-28-20)10-15-2-4-16(5-3-15)17-6-7-21-19(11-17)25-14-29-21/h2-7,11,14,18,20,24H,1,8-10,13H2,(H,26,27)/t18-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	61.7	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))	BDBM50195263 (CHEMBL3942969 | US10287258, Example 33 | US1066924...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2scnc2c1)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2S/c23-12-18(26-22(27)20-13-24-8-1-9-28-20)10-15-2-4-16(5-3-15)17-6-7-21-19(11-17)25-14-29-21/h2-7,11,14,18,20,24H,1,8-10,13H2,(H,26,27)/t18-,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	61.7	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))	BDBM50195263 (CHEMBL3942969 | US10287258, Example 33 | US1066924...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2scnc2c1)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2S/c23-12-18(26-22(27)20-13-24-8-1-9-28-20)10-15-2-4-16(5-3-15)17-6-7-21-19(11-17)25-14-29-21/h2-7,11,14,18,20,24H,1,8-10,13H2,(H,26,27)/t18-,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	61.7	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