null

SMILES: CNC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C

InChI Key: InChIKey=QGEPSKOURWVCMJ-BTURHGITSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084651   

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
Pepsin A (Porcine)	BDBM50084651 (3-{2-[2-Benzyl-4-(4-methylamino-piperidin-1-yl)-4-...) Show SMILES CNC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C Show InChI InChI=1S/C34H54N4O6S/c1-23(2)44-34(43)31(40)28(20-25-13-9-6-10-14-25)36-33(42)29(22-45-4)37-32(41)26(19-24-11-7-5-8-12-24)21-30(39)38-17-15-27(35-3)16-18-38/h5,7-8,11-12,23,25-29,31,35,40H,6,9-10,13-22H2,1-4H3,(H,36,42)(H,37,41)/t26-,28+,29+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory concentration against porcine pepsin				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50084651 (3-{2-[2-Benzyl-4-(4-methylamino-piperidin-1-yl)-4-...) Show SMILES CNC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C Show InChI InChI=1S/C34H54N4O6S/c1-23(2)44-34(43)31(40)28(20-25-13-9-6-10-14-25)36-33(42)29(22-45-4)37-32(41)26(19-24-11-7-5-8-12-24)21-30(39)38-17-15-27(35-3)16-18-38/h5,7-8,11-12,23,25-29,31,35,40H,6,9-10,13-22H2,1-4H3,(H,36,42)(H,37,41)/t26-,28+,29+,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin D.				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50084651 (3-{2-[2-Benzyl-4-(4-methylamino-piperidin-1-yl)-4-...) Show SMILES CNC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C Show InChI InChI=1S/C34H54N4O6S/c1-23(2)44-34(43)31(40)28(20-25-13-9-6-10-14-25)36-33(42)29(22-45-4)37-32(41)26(19-24-11-7-5-8-12-24)21-30(39)38-17-15-27(35-3)16-18-38/h5,7-8,11-12,23,25-29,31,35,40H,6,9-10,13-22H2,1-4H3,(H,36,42)(H,37,41)/t26-,28+,29+,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory concentration against Renin				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair