BDBM50169110 CHEMBL364630::Pyridine-2-carboxylic acid {(S)-1-[(1S,2S)-1-(biphenyl-4-ylmethoxymethyl)-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl]-2-methyl-propyl}-amide

SMILES: CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C

InChI Key: InChIKey=NOGDEGWDVBKKOV-QMOZSOIISA-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 = 50169110   

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 I (Plasmodium falciparum)	BDBM50169110 (CHEMBL364630 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C33H42N4O5/c1-4-5-18-35-30(39)20-29(38)28(22-42-21-24-14-16-26(17-15-24)25-11-7-6-8-12-25)36-33(41)31(23(2)3)37-32(40)27-13-9-10-19-34-27/h6-17,19,23,28-29,31,38H,4-5,18,20-22H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t28-,29-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50169110 (CHEMBL364630 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C33H42N4O5/c1-4-5-18-35-30(39)20-29(38)28(22-42-21-24-14-16-26(17-15-24)25-11-7-6-8-12-25)36-33(41)31(23(2)3)37-32(40)27-13-9-10-19-34-27/h6-17,19,23,28-29,31,38H,4-5,18,20-22H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t28-,29-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50169110 (CHEMBL364630 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C33H42N4O5/c1-4-5-18-35-30(39)20-29(38)28(22-42-21-24-14-16-26(17-15-24)25-11-7-6-8-12-25)36-33(41)31(23(2)3)37-32(40)27-13-9-10-19-34-27/h6-17,19,23,28-29,31,38H,4-5,18,20-22H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t28-,29-,31-/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 Similars	Article PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair