BDBM50093163 CHEMBL306258::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)-[#6]-[#6]-[#16]-c2ccncc2)cc1

InChI Key: InChIKey=NSURZCVWTFRYAP-ISILISOKSA-N

Data: 4 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 4 hits for monomerid = 50093163   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tryptase (Homo sapiens (Human))	BDBM50093163 (CHEMBL306258 | Derivative of piperazine-1-carboxyl...) Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCSc2ccncc2)cc1 Show InChI InChI=1S/C35H49N9O6S/c36-32(37)40-27-9-7-26(8-10-27)25-39-33(46)42-18-22-44(23-19-42)35(48)50-29-5-1-3-28(4-2-6-29)49-34(47)43-20-16-41(17-21-43)31(45)13-24-51-30-11-14-38-15-12-30/h7-12,14-15,28-29H,1-6,13,16-25H2,(H,39,46)(H4,36,37,40)/t28-,29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	80	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) Article DOI: 10.1016/s0960-894x(00)00485-6 BindingDB Entry DOI: 10.7270/Q2HX1BWR
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50093163 (CHEMBL306258 | Derivative of piperazine-1-carboxyl...) Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCSc2ccncc2)cc1 Show InChI InChI=1S/C35H49N9O6S/c36-32(37)40-27-9-7-26(8-10-27)25-39-33(46)42-18-22-44(23-19-42)35(48)50-29-5-1-3-28(4-2-6-29)49-34(47)43-20-16-41(17-21-43)31(45)13-24-51-30-11-14-38-15-12-30/h7-12,14-15,28-29H,1-6,13,16-25H2,(H,39,46)(H4,36,37,40)/t28-,29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1.56E+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) Article DOI: 10.1016/s0960-894x(00)00485-6 BindingDB Entry DOI: 10.7270/Q2HX1BWR
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM50093163 (CHEMBL306258 | Derivative of piperazine-1-carboxyl...) Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCSc2ccncc2)cc1 Show InChI InChI=1S/C35H49N9O6S/c36-32(37)40-27-9-7-26(8-10-27)25-39-33(46)42-18-22-44(23-19-42)35(48)50-29-5-1-3-28(4-2-6-29)49-34(47)43-20-16-41(17-21-43)31(45)13-24-51-30-11-14-38-15-12-30/h7-12,14-15,28-29H,1-6,13,16-25H2,(H,39,46)(H4,36,37,40)/t28-,29+	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	7.41E+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) Article DOI: 10.1016/s0960-894x(00)00485-6 BindingDB Entry DOI: 10.7270/Q2HX1BWR
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50093163 (CHEMBL306258 | Derivative of piperazine-1-carboxyl...) Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCSc2ccncc2)cc1 Show InChI InChI=1S/C35H49N9O6S/c36-32(37)40-27-9-7-26(8-10-27)25-39-33(46)42-18-22-44(23-19-42)35(48)50-29-5-1-3-28(4-2-6-29)49-34(47)43-20-16-41(17-21-43)31(45)13-24-51-30-11-14-38-15-12-30/h7-12,14-15,28-29H,1-6,13,16-25H2,(H,39,46)(H4,36,37,40)/t28-,29+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article 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) Article DOI: 10.1016/s0960-894x(00)00485-6 BindingDB Entry DOI: 10.7270/Q2HX1BWR
					More data for this Ligand-Target Pair