BDBM50152293 CHEMBL360828::{3-[(S)-4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-1-isobutyl-pentylamino]-1-(S)-1-carbamoylmethyl-2-oxo-propyl}-carbamic acid tert-butyl ester

SMILES: CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=QMIIETJQUSZXNX-MEKRLRAVSA-N

Data: 1 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 1 hit for monomerid = 50152293   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50152293 (CHEMBL360828 | {3-[(S)-4-(1-Benzylcarbamoyl-2-meth...) Show SMILES CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H53N5O7/c1-19(2)14-23(34-18-26(39)24(16-27(33)40)36-31(43)44-32(6,7)8)25(38)15-21(5)29(41)37-28(20(3)4)30(42)35-17-22-12-10-9-11-13-22/h9-13,19-21,23-25,28,34,38H,14-18H2,1-8H3,(H2,33,40)(H,35,42)(H,36,43)(H,37,41)/t21?,23-,24-,25?,28?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity against Beta-secretase				Bioorg Med Chem Lett 14: 4843-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.044 BindingDB Entry DOI: 10.7270/Q2M32WJX
					More data for this Ligand-Target Pair