BDBM50025526 (1-{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-ethyl}-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-2-phenyl-ethyl)-carbamic acid tert-butyl ester::CHEMBL3142509::CHEMBL85836

SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=ZUGYUBYRAGBOBC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50025526   

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)	BDBM50025526 ((1-{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamo...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C36H60N6O8/c1-21(2)16-17-37-31(45)23(5)38-30(44)20-29(43)27(18-22(3)4)41-33(47)25(7)39-32(46)24(6)40-34(48)28(19-26-14-12-11-13-15-26)42-35(49)50-36(8,9)10/h11-15,21-25,27-29,43H,16-20H2,1-10H3,(H,37,45)(H,38,44)(H,39,46)(H,40,48)(H,41,47)(H,42,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of pepsin.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50025526 ((1-{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamo...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C36H60N6O8/c1-21(2)16-17-37-31(45)23(5)38-30(44)20-29(43)27(18-22(3)4)41-33(47)25(7)39-32(46)24(6)40-34(48)28(19-26-14-12-11-13-15-26)42-35(49)50-36(8,9)10/h11-15,21-25,27-29,43H,16-20H2,1-10H3,(H,37,45)(H,38,44)(H,39,46)(H,40,48)(H,41,47)(H,42,49)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Pepsinogen C (Homo sapiens (Human))	BDBM50025526 ((1-{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamo...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C36H60N6O8/c1-21(2)16-17-37-31(45)23(5)38-30(44)20-29(43)27(18-22(3)4)41-33(47)25(7)39-32(46)24(6)40-34(48)28(19-26-14-12-11-13-15-26)42-35(49)50-36(8,9)10/h11-15,21-25,27-29,43H,16-20H2,1-10H3,(H,37,45)(H,38,44)(H,39,46)(H,40,48)(H,41,47)(H,42,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of Rhizopus chinensis pepsin.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair