BDBM50046857 CHEMBL143596::[1-(1-{1-[1-Hydroxy-2-(4-hydroxy-butylcarbamoyl)-ethyl]-3-methyl-butylcarbamoyl}-2-methyl-butylcarbamoyl)-2-methyl-butyl]-carbamic acid tert-butyl ester

SMILES: CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCO

InChI Key: InChIKey=JTMRUIJZKNZJRX-JCFUUELCSA-N

Data: 2 IC50

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 2 hits for monomerid = 50046857   

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
Cathepsin D (Bos taurus)	BDBM50046857 (CHEMBL143596 | [1-(1-{1-[1-Hydroxy-2-(4-hydroxy-bu...) Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCO Show InChI InChI=1S/C29H56N4O7/c1-10-19(5)24(32-27(38)25(20(6)11-2)33-28(39)40-29(7,8)9)26(37)31-21(16-18(3)4)22(35)17-23(36)30-14-12-13-15-34/h18-22,24-25,34-35H,10-17H2,1-9H3,(H,30,36)(H,31,37)(H,32,38)(H,33,39)/t19?,20?,21-,22?,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50046857 (CHEMBL143596 | [1-(1-{1-[1-Hydroxy-2-(4-hydroxy-bu...) Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCO Show InChI InChI=1S/C29H56N4O7/c1-10-19(5)24(32-27(38)25(20(6)11-2)33-28(39)40-29(7,8)9)26(37)31-21(16-18(3)4)22(35)17-23(36)30-14-12-13-15-34/h18-22,24-25,34-35H,10-17H2,1-9H3,(H,30,36)(H,31,37)(H,32,38)(H,33,39)/t19?,20?,21-,22?,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair