BDBM50009172 CHEMBL3238363

SMILES: COc1ccc(cc1)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O

InChI Key: InChIKey=NJCONWUQJAZYBT-KRWDZBQOSA-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 = 50009172   

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
Plasminogen (Homo sapiens (Human))	BDBM50009172 (CHEMBL3238363) Show SMILES COc1ccc(cc1)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r| Show InChI InChI=1S/C25H28N8O4/c1-31-19(14-33-21(34)15-32(25(33)36)18-6-8-20(37-2)9-7-18)11-16-13-28-22(30-23(16)31)24(35)29-17(12-27)5-3-4-10-26/h6-9,11,13,17H,3-5,10,14-15,26H2,1-2H3,(H,29,35)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Inhibition of human plasmin using H-D-Val-Leu-LyspNA (S-2251) peptide as substrate assessed as reduction of enzyme hydrolytic activity				Bioorg Med Chem 22: 2339-52 (2014) Article DOI: 10.1016/j.bmc.2014.02.002 BindingDB Entry DOI: 10.7270/Q2KH0PVJ
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50009172 (CHEMBL3238363) Show SMILES COc1ccc(cc1)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r| Show InChI InChI=1S/C25H28N8O4/c1-31-19(14-33-21(34)15-32(25(33)36)18-6-8-20(37-2)9-7-18)11-16-13-28-22(30-23(16)31)24(35)29-17(12-27)5-3-4-10-26/h6-9,11,13,17H,3-5,10,14-15,26H2,1-2H3,(H,29,35)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Inhibition of human plasma urokinase using Glu-Gly-Arg-pNA (S-2444) peptide as substrate assessed as reduction of enzyme hydrolytic activity				Bioorg Med Chem 22: 2339-52 (2014) Article DOI: 10.1016/j.bmc.2014.02.002 BindingDB Entry DOI: 10.7270/Q2KH0PVJ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50009172 (CHEMBL3238363) Show SMILES COc1ccc(cc1)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r| Show InChI InChI=1S/C25H28N8O4/c1-31-19(14-33-21(34)15-32(25(33)36)18-6-8-20(37-2)9-7-18)11-16-13-28-22(30-23(16)31)24(35)29-17(12-27)5-3-4-10-26/h6-9,11,13,17H,3-5,10,14-15,26H2,1-2H3,(H,29,35)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Inhibition of human plasma kallikerin using H-D-Phe-Pro-Arg-pNA (S-2302) peptide as substrate assessed as reduction of enzyme hydrolytic activity				Bioorg Med Chem 22: 2339-52 (2014) Article DOI: 10.1016/j.bmc.2014.02.002 BindingDB Entry DOI: 10.7270/Q2KH0PVJ
					More data for this Ligand-Target Pair