BindingDB PrimarySearch

BDBM50093158 1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hexahydro-1-pyrazinylcarbonyloxy}-5-[4-(5-aminopentylcarbamoyl)hexahydro-1-pyrazinylcarbonyloxy]cyclooctane::CHEMBL42900::Derivative of piperazine-1-carboxylic acid 5-(piperazine-1-carbonyloxy)-cyclooctyl ester

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]

InChI Key: InChIKey=BJUPAZWABXENNS-HNRBIFIRSA-N

Data: 4 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50093158
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tryptase (Homo sapiens (Human))	BDBM50093158 (1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hex...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Evaluated for its inhibitory potency against tryptase				Bioorg Med Chem Lett 10: 2361-6 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BWR
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50093158 (1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hex...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory potency against trypsin				Bioorg Med Chem Lett 10: 2361-6 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BWR
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50093158 (1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hex...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory potency against plasmin				Bioorg Med Chem Lett 10: 2361-6 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BWR
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50093158 (1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hex...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory potency against thrombin				Bioorg Med Chem Lett 10: 2361-6 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BWR
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair