BDBM50093143 CHEMBL76733::N-(4-Aminomethyl-benzyl)-N'-(4-{[3-(4-aminomethyl-benzylcarbamoyl)-propionylamino]-methyl}-benzyl)-succinamide

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

InChI Key: InChIKey=PKWZPPLXHJULQB-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 = 50093143   

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))	BDBM50093143 (CHEMBL76733 | N-(4-Aminomethyl-benzyl)-N'-(4-{[3-(...) Show SMILES NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C32H40N6O4/c33-17-23-1-5-25(6-2-23)19-35-29(39)13-15-31(41)37-21-27-9-11-28(12-10-27)22-38-32(42)16-14-30(40)36-20-26-7-3-24(18-34)4-8-26/h1-12H,13-22,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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))	BDBM50093143 (CHEMBL76733 | N-(4-Aminomethyl-benzyl)-N'-(4-{[3-(...) Show SMILES NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C32H40N6O4/c33-17-23-1-5-25(6-2-23)19-35-29(39)13-15-31(41)37-21-27-9-11-28(12-10-27)22-38-32(42)16-14-30(40)36-20-26-7-3-24(18-34)4-8-26/h1-12H,13-22,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.37E+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
Plasminogen (Homo sapiens (Human))	BDBM50093143 (CHEMBL76733 | N-(4-Aminomethyl-benzyl)-N'-(4-{[3-(...) Show SMILES NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C32H40N6O4/c33-17-23-1-5-25(6-2-23)19-35-29(39)13-15-31(41)37-21-27-9-11-28(12-10-27)22-38-32(42)16-14-30(40)36-20-26-7-3-24(18-34)4-8-26/h1-12H,13-22,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.69E+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 plasmin				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))	BDBM50093143 (CHEMBL76733 | N-(4-Aminomethyl-benzyl)-N'-(4-{[3-(...) Show SMILES NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1 Show InChI InChI=1S/C32H40N6O4/c33-17-23-1-5-25(6-2-23)19-35-29(39)13-15-31(41)37-21-27-9-11-28(12-10-27)22-38-32(42)16-14-30(40)36-20-26-7-3-24(18-34)4-8-26/h1-12H,13-22,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)	PDB UniProtKB/SwissProt 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 thrombin				Bioorg Med Chem Lett 10: 2357-60 (2001) BindingDB Entry DOI: 10.7270/Q2NP23NX
					More data for this Ligand-Target Pair