BDBM50158158 CHEMBL3780208

SMILES: NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1

InChI Key: InChIKey=MEELSFYQUGSNNK-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50158158   

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
Trypsin (Homo sapiens (Human))	BDBM50158158 (CHEMBL3780208) Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1 Show InChI InChI=1S/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50158158 (CHEMBL3780208) Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1 Show InChI InChI=1S/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50158158 (CHEMBL3780208) Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1 Show InChI InChI=1S/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50158158 (CHEMBL3780208) Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1 Show InChI InChI=1S/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50158158 (CHEMBL3780208) Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1 Show InChI InChI=1S/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50158158 (CHEMBL3780208) Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1 Show InChI InChI=1S/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant thrombin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair