BDBM50093144 CHEMBL46120::N-(4-Guanidino-benzyl)-N'-(4-{[2-(4-guanidino-benzylcarbamoyl)-acetylamino]-methyl}-benzyl)-malonamide

SMILES: [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](\[#7])-[#7])cc2)cc1

InChI Key: InChIKey=MKHBQTSGUUXUPV-UHFFFAOYSA-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 = 50093144   

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
Tryptase (Homo sapiens (Human))	BDBM50093144 (CHEMBL46120 | N-(4-Guanidino-benzyl)-N'-(4-{[2-(4-...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](\[#7])-[#7])cc2)cc1 Show InChI InChI=1S/C30H36N10O4/c31-29(32)39-23-9-5-21(6-10-23)17-37-27(43)13-25(41)35-15-19-1-2-20(4-3-19)16-36-26(42)14-28(44)38-18-22-7-11-24(12-8-22)40-30(33)34/h1-12H,13-18H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)(H4,31,32,39)(H4,33,34,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	680	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
Trypsin-1 (Homo sapiens (Human))	BDBM50093144 (CHEMBL46120 | N-(4-Guanidino-benzyl)-N'-(4-{[2-(4-...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](\[#7])-[#7])cc2)cc1 Show InChI InChI=1S/C30H36N10O4/c31-29(32)39-23-9-5-21(6-10-23)17-37-27(43)13-25(41)35-15-19-1-2-20(4-3-19)16-36-26(42)14-28(44)38-18-22-7-11-24(12-8-22)40-30(33)34/h1-12H,13-18H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)(H4,31,32,39)(H4,33,34,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.30E+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
Prothrombin (Homo sapiens (Human))	BDBM50093144 (CHEMBL46120 | N-(4-Guanidino-benzyl)-N'-(4-{[2-(4-...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](\[#7])-[#7])cc2)cc1 Show InChI InChI=1S/C30H36N10O4/c31-29(32)39-23-9-5-21(6-10-23)17-37-27(43)13-25(41)35-15-19-1-2-20(4-3-19)16-36-26(42)14-28(44)38-18-22-7-11-24(12-8-22)40-30(33)34/h1-12H,13-18H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)(H4,31,32,39)(H4,33,34,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 thrombin				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))	BDBM50093144 (CHEMBL46120 | N-(4-Guanidino-benzyl)-N'-(4-{[2-(4-...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](\[#7])-[#7])cc2)cc1 Show InChI InChI=1S/C30H36N10O4/c31-29(32)39-23-9-5-21(6-10-23)17-37-27(43)13-25(41)35-15-19-1-2-20(4-3-19)16-36-26(42)14-28(44)38-18-22-7-11-24(12-8-22)40-30(33)34/h1-12H,13-18H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)(H4,31,32,39)(H4,33,34,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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