BDBM50093137 CHEMBL80149::[(S)-1-(4-Aminomethyl-benzylcarbamoyl)-ethyl]-carbamic acid 4-[(S)-1-(4-aminomethyl-benzylcarbamoyl)-ethylcarbamoyloxymethyl]-benzyl ester

SMILES: C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1

InChI Key: InChIKey=UFOLUMXDIVXLEH-VXKWHMMOSA-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 = 50093137   

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))	BDBM50093137 (CHEMBL80149 | [(S)-1-(4-Aminomethyl-benzylcarbamoy...) Show SMILES C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1 Show InChI InChI=1S/C32H40N6O6/c1-21(29(39)35-17-25-7-3-23(15-33)4-8-25)37-31(41)43-19-27-11-13-28(14-12-27)20-44-32(42)38-22(2)30(40)36-18-26-9-5-24(16-34)6-10-26/h3-14,21-22H,15-20,33-34H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	366	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
Plasminogen (Homo sapiens (Human))	BDBM50093137 (CHEMBL80149 | [(S)-1-(4-Aminomethyl-benzylcarbamoy...) Show SMILES C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1 Show InChI InChI=1S/C32H40N6O6/c1-21(29(39)35-17-25-7-3-23(15-33)4-8-25)37-31(41)43-19-27-11-13-28(14-12-27)20-44-32(42)38-22(2)30(40)36-18-26-9-5-24(16-34)6-10-26/h3-14,21-22H,15-20,33-34H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)/t21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30E+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 plasmin				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))	BDBM50093137 (CHEMBL80149 | [(S)-1-(4-Aminomethyl-benzylcarbamoy...) Show SMILES C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1 Show InChI InChI=1S/C32H40N6O6/c1-21(29(39)35-17-25-7-3-23(15-33)4-8-25)37-31(41)43-19-27-11-13-28(14-12-27)20-44-32(42)38-22(2)30(40)36-18-26-9-5-24(16-34)6-10-26/h3-14,21-22H,15-20,33-34H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.73E+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))	BDBM50093137 (CHEMBL80149 | [(S)-1-(4-Aminomethyl-benzylcarbamoy...) Show SMILES C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1 Show InChI InChI=1S/C32H40N6O6/c1-21(29(39)35-17-25-7-3-23(15-33)4-8-25)37-31(41)43-19-27-11-13-28(14-12-27)20-44-32(42)38-22(2)30(40)36-18-26-9-5-24(16-34)6-10-26/h3-14,21-22H,15-20,33-34H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)/t21-,22-/m0/s1	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