BDBM50076287 1-Methyl-piperidine-4-carboxylic acid [(2S,3S)-3-(4-benzyloxy-3,5-dimethoxy-benzoylamino)-2-hydroxy-4-phenyl-butyl]-[2-(4-methoxy-phenyl)-ethyl]-amide::CHEMBL32684

SMILES: COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1

InChI Key: InChIKey=YAFCWMRGCHJDGO-BCRBLDSWSA-N

Data: 2 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 2 hits for monomerid = 50076287   

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
Plasmepsin 2 (Plasmodium falciparum)	BDBM50076287 (1-Methyl-piperidine-4-carboxylic acid [(2S,3S)-3-(...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C42H51N3O7/c1-44-22-20-33(21-23-44)42(48)45(24-19-30-15-17-35(49-2)18-16-30)28-37(46)36(25-31-11-7-5-8-12-31)43-41(47)34-26-38(50-3)40(39(27-34)51-4)52-29-32-13-9-6-10-14-32/h5-18,26-27,33,36-37,46H,19-25,28-29H2,1-4H3,(H,43,47)/t36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin D (Homo sapiens (Human))	BDBM50076287 (1-Methyl-piperidine-4-carboxylic acid [(2S,3S)-3-(...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C42H51N3O7/c1-44-22-20-33(21-23-44)42(48)45(24-19-30-15-17-35(49-2)18-16-30)28-37(46)36(25-31-11-7-5-8-12-31)43-41(47)34-26-38(50-3)40(39(27-34)51-4)52-29-32-13-9-6-10-14-32/h5-18,26-27,33,36-37,46H,19-25,28-29H2,1-4H3,(H,43,47)/t36-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair