BDBM50093140 CHEMBL43463::Derivative of piperazine-1-carboxylic acid 5-(piperazine-1-carbonyloxy)-cyclooctyl ester

SMILES: O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1

InChI Key: InChIKey=QYWNCNJGCKTVTQ-RNPORBBMSA-N

Data: 8 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 8 hits for monomerid = 50093140   

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
Prothrombin (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+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 thrombin				Bioorg Med Chem Lett 10: 2361-6 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BWR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+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 thrombin				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40E+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
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40E+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
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+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
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+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 tryptase				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	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
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50093140 (CHEMBL43463 | Derivative of piperazine-1-carboxyli...) Show SMILES O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H46N6O6/c41-31(35-25-27-9-3-1-4-10-27)37-17-21-39(22-18-37)33(43)45-29-13-7-15-30(16-8-14-29)46-34(44)40-23-19-38(20-24-40)32(42)36-26-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2,(H,35,41)(H,36,42)/t29-,30+	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 Inhibitory potency against plasmin				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
					More data for this Ligand-Target Pair