BDBM50169111 CHEMBL365935::N-{(1S,2S)-1-(Biphenyl-4-ylmethoxymethyl)-3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-propyl}-2,4,6-trifluoro-benzamide

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O

InChI Key: InChIKey=GXPNPXHBPYGFKO-KXPNRLJCSA-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 = 50169111   

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)	BDBM50169111 (CHEMBL365935 | N-{(1S,2S)-1-(Biphenyl-4-ylmethoxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C34H39F3N4O6/c1-19(2)13-27(32(38)44)40-33(45)20(3)39-30(43)16-29(42)28(41-34(46)31-25(36)14-24(35)15-26(31)37)18-47-17-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-12,14-15,19-20,27-29,42H,13,16-18H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)(H,41,46)/t20-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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 II (Plasmodium falciparum)	BDBM50169111 (CHEMBL365935 | N-{(1S,2S)-1-(Biphenyl-4-ylmethoxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C34H39F3N4O6/c1-19(2)13-27(32(38)44)40-33(45)20(3)39-30(43)16-29(42)28(41-34(46)31-25(36)14-24(35)15-26(31)37)18-47-17-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-12,14-15,19-20,27-29,42H,13,16-18H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)(H,41,46)/t20-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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))	BDBM50169111 (CHEMBL365935 | N-{(1S,2S)-1-(Biphenyl-4-ylmethoxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C34H39F3N4O6/c1-19(2)13-27(32(38)44)40-33(45)20(3)39-30(43)16-29(42)28(41-34(46)31-25(36)14-24(35)15-26(31)37)18-47-17-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-12,14-15,19-20,27-29,42H,13,16-18H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)(H,41,46)/t20-,27-,28-,29-/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	1.73E+3	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