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BDBM50366909 CHEMBL1790773

SMILES: CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc2cc(ccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)[C@H](C)CC

InChI Key: InChIKey=DDXVKBQDEREBOT-NSOLGOOZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50366909   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Plasmepsin 2


(Plasmodium falciparum)		BDBM50366909
PNG
(CHEMBL1790773)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc2cc(ccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)[C@H](C)CC
Show InChI InChI=1S/C57H85N9O8/c1-10-12-25-59-50(68)34-49(67)46(28-35(3)4)64-57(73)51(37(7)11-2)66-54(70)43-23-21-39-30-42(22-20-40(39)31-43)53(69)65-48(29-36(5)6)56(72)63-45(19-13-14-24-58)55(71)61-27-15-17-38(8)62-47-33-44(74-9)32-41-18-16-26-60-52(41)47/h16,18,20-23,26,30-33,35-38,45-46,48-49,51,62,67H,10-15,17,19,24-25,27-29,34,58H2,1-9H3,(H,59,68)(H,61,71)(H,63,72)(H,64,73)(H,65,69)(H,66,70)/t37-,38?,45-,46+,48-,49+,51+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2

Bioorg Med Chem Lett 14: 2931-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.030
BindingDB Entry DOI: 10.7270/Q2G44QVR
More data for this
Ligand-Target Pair