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BDBM50461266 CHEMBL4226577

SMILES: CS(=O)(=O)c1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=GFKQJCZJFHQYEL-QHCPKHFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50461266   
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
Falcipain 2


(Plasmodium falciparum)		BDBM50461266
PNG
(CHEMBL4226577)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C26H24N4O4S/c1-35(33,34)22-9-3-7-20(15-22)19-6-2-8-21(14-19)24(31)29-23(13-18-5-4-12-28-16-18)25(32)30-26(17-27)10-11-26/h2-9,12,14-16,23H,10-11,13H2,1H3,(H,29,31)(H,30,32)/t23-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2

Bioorg Med Chem Lett 28: 1540-1544 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.069
BindingDB Entry DOI: 10.7270/Q2G44SW1
More data for this
Ligand-Target Pair