BDBM50093146 CHEMBL77521::N-(4-Aminomethyl-benzyl)-N'-(4-{[2-(4-aminomethyl-benzylcarbamoyl)-acetylamino]-methyl}-benzyl)-malonamide

SMILES: NCc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(CN)cc3)cc2)cc1

InChI Key: InChIKey=ICJRTFAHVMZUFX-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 = 50093146   

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))	BDBM50093146 (CHEMBL77521 | N-(4-Aminomethyl-benzyl)-N'-(4-{[2-(...) Show SMILES NCc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C30H36N6O4/c31-15-21-1-5-23(6-2-21)17-33-27(37)13-29(39)35-19-25-9-11-26(12-10-25)20-36-30(40)14-28(38)34-18-24-7-3-22(16-32)4-8-24/h1-12H,13-20,31-32H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	150	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))	BDBM50093146 (CHEMBL77521 | N-(4-Aminomethyl-benzyl)-N'-(4-{[2-(...) Show SMILES NCc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C30H36N6O4/c31-15-21-1-5-23(6-2-21)17-33-27(37)13-29(39)35-19-25-9-11-26(12-10-25)20-36-30(40)14-28(38)34-18-24-7-3-22(16-32)4-8-24/h1-12H,13-20,31-32H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.17E+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 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))	BDBM50093146 (CHEMBL77521 | N-(4-Aminomethyl-benzyl)-N'-(4-{[2-(...) Show SMILES NCc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C30H36N6O4/c31-15-21-1-5-23(6-2-21)17-33-27(37)13-29(39)35-19-25-9-11-26(12-10-25)20-36-30(40)14-28(38)34-18-24-7-3-22(16-32)4-8-24/h1-12H,13-20,31-32H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)	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))	BDBM50093146 (CHEMBL77521 | N-(4-Aminomethyl-benzyl)-N'-(4-{[2-(...) Show SMILES NCc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C30H36N6O4/c31-15-21-1-5-23(6-2-21)17-33-27(37)13-29(39)35-19-25-9-11-26(12-10-25)20-36-30(40)14-28(38)34-18-24-7-3-22(16-32)4-8-24/h1-12H,13-20,31-32H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)	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