BDBM50322033 2-Methylisoindole-1,3-dione-5-yl 3-(6-aminopyridin-3-yl)propionate::CHEMBL1171655

SMILES: CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O

InChI Key: InChIKey=OSPQCZJJZMQHLM-UHFFFAOYSA-N

Data: 1 KI  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 = 50322033   

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
Thrombin (Bos taurus (Bovine))	BDBM50322033 (2-Methylisoindole-1,3-dione-5-yl 3-(6-aminopyridin...) Show SMILES CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O Show InChI InChI=1S/C17H15N3O4/c1-20-16(22)12-5-4-11(8-13(12)17(20)23)24-15(21)7-3-10-2-6-14(18)19-9-10/h2,4-6,8-9H,3,7H2,1H3,(H2,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to bovine thrombin after 3 mins				Bioorg Med Chem 18: 5323-38 (2010) Article DOI: 10.1016/j.bmc.2010.05.037 BindingDB Entry DOI: 10.7270/Q2Z0394Z
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50322033 (2-Methylisoindole-1,3-dione-5-yl 3-(6-aminopyridin...) Show SMILES CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O Show InChI InChI=1S/C17H15N3O4/c1-20-16(22)12-5-4-11(8-13(12)17(20)23)24-15(21)7-3-10-2-6-14(18)19-9-10/h2,4-6,8-9H,3,7H2,1H3,(H2,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Bz-Arg-pNA.HCl as substrate after 5 mins by colorimetric analysis				Bioorg Med Chem Lett 25: 3676-80 (2015) BindingDB Entry DOI: 10.7270/Q2416ZV8
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50322033 (2-Methylisoindole-1,3-dione-5-yl 3-(6-aminopyridin...) Show SMILES CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O Show InChI InChI=1S/C17H15N3O4/c1-20-16(22)12-5-4-11(8-13(12)17(20)23)24-15(21)7-3-10-2-6-14(18)19-9-10/h2,4-6,8-9H,3,7H2,1H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of tryptase (unknown origin) using t-Boc-Phe-Ser-Arg-MCA as substrate after 5 mins by fluorimetric analysis				Bioorg Med Chem Lett 25: 3676-80 (2015) BindingDB Entry DOI: 10.7270/Q2416ZV8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50322033 (2-Methylisoindole-1,3-dione-5-yl 3-(6-aminopyridin...) Show SMILES CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O Show InChI InChI=1S/C17H15N3O4/c1-20-16(22)12-5-4-11(8-13(12)17(20)23)24-15(21)7-3-10-2-6-14(18)19-9-10/h2,4-6,8-9H,3,7H2,1H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using t-Boc-Val-Pro-Arg-MCA as substrate after 5 mins by fluorimetric analysis				Bioorg Med Chem Lett 25: 3676-80 (2015) BindingDB Entry DOI: 10.7270/Q2416ZV8
					More data for this Ligand-Target Pair