BindingDB PrimarySearch

BDBM50093142 1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl]hexahydro-1-pyrazinylcarbonyloxy}cyclooctane::1N-(3,3-diphenylpropyl)-4-[4-amino(imino)methylphenylcarboxamidomethyl]benzamide::APC-1390::CHEMBL46809::Derivative of piperazine-1-carboxylic acid 5-(piperazine-1-carbonyloxy)-cyclooctyl ester

SMILES: [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

InChI Key: InChIKey=BYQFZIDMWZQLEL-RNPORBBMSA-N

Data: 7 KI 2 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50093142
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))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human tryptase enzyme				Bioorg Med Chem Lett 11: 2325-30 (2001) BindingDB Entry DOI: 10.7270/Q21835S6
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory potency against trypsin				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90E+4	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
Prothrombin (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.35E+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 Inhibitory potency against thrombin				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.35E+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 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
Plasminogen (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) 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 Patents Similars	PubMed	4.94E+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 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
Plasminogen (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) 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 Patents Similars	PubMed	4.94E+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 Inhibitory potency against plasmin				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Dissociation cosntant of compound was evaluated from its IC50 against tryptase at different concentrations				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
Axys Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50093142 (1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Dissociation cosntant of compound was evaluated from its IC50 against tryptase at different concentrations				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