Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 755.9 BDBM50101020

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tryptase beta-2/delta/gamma (Homo sapiens (Human))	BDBM50101020 (1-{4-[4-amino(1-methoxycarbonylimino)methylbenzylc...) Show SMILES COC(=O)N=C(N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1 |w:4.3| Show InChI InChI=1S/C37H57N9O8/c1-52-35(49)42-32(38)29-10-8-28(9-11-29)26-41-34(48)44-20-24-46(25-21-44)37(51)54-31-6-2-4-30(5-3-7-31)53-36(50)45-22-18-43(19-23-45)33(47)40-17-14-27-12-15-39-16-13-27/h8-11,27,30-31,39H,2-7,12-26H2,1H3,(H,40,47)(H,41,48)(H2,38,42,49)/t30-,31+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.				Bioorg Med Chem Lett 11: 1629-33 (2001) BindingDB Entry DOI: 10.7270/Q2R78DHK
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50101020 (1-{4-[4-amino(1-methoxycarbonylimino)methylbenzylc...) Show SMILES COC(=O)N=C(N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1 |w:4.3| Show InChI InChI=1S/C37H57N9O8/c1-52-35(49)42-32(38)29-10-8-28(9-11-29)26-41-34(48)44-20-24-46(25-21-44)37(51)54-31-6-2-4-30(5-3-7-31)53-36(50)45-22-18-43(19-23-45)33(47)40-17-14-27-12-15-39-16-13-27/h8-11,27,30-31,39H,2-7,12-26H2,1H3,(H,40,47)(H,41,48)(H2,38,42,49)/t30-,31+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.54E+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 Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.				Bioorg Med Chem Lett 11: 1629-33 (2001) BindingDB Entry DOI: 10.7270/Q2R78DHK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50101020 (1-{4-[4-amino(1-methoxycarbonylimino)methylbenzylc...) Show SMILES COC(=O)N=C(N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1 |w:4.3| Show InChI InChI=1S/C37H57N9O8/c1-52-35(49)42-32(38)29-10-8-28(9-11-29)26-41-34(48)44-20-24-46(25-21-44)37(51)54-31-6-2-4-30(5-3-7-31)53-36(50)45-22-18-43(19-23-45)33(47)40-17-14-27-12-15-39-16-13-27/h8-11,27,30-31,39H,2-7,12-26H2,1H3,(H,40,47)(H,41,48)(H2,38,42,49)/t30-,31+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.61E+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 Inhibition of thrombin in human mast cells				Bioorg Med Chem Lett 11: 1629-33 (2001) BindingDB Entry DOI: 10.7270/Q2R78DHK
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50101020 (1-{4-[4-amino(1-methoxycarbonylimino)methylbenzylc...) Show SMILES COC(=O)N=C(N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1 |w:4.3| Show InChI InChI=1S/C37H57N9O8/c1-52-35(49)42-32(38)29-10-8-28(9-11-29)26-41-34(48)44-20-24-46(25-21-44)37(51)54-31-6-2-4-30(5-3-7-31)53-36(50)45-22-18-43(19-23-45)33(47)40-17-14-27-12-15-39-16-13-27/h8-11,27,30-31,39H,2-7,12-26H2,1H3,(H,40,47)(H,41,48)(H2,38,42,49)/t30-,31+	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 Inhibition plasmin in human mast cells				Bioorg Med Chem Lett 11: 1629-33 (2001) BindingDB Entry DOI: 10.7270/Q2R78DHK
					More data for this Ligand-Target Pair