BDBM50157204 (1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemicarbazone::(E)-2-(1-(3,4-dichlorophenyl)pentylidene)hydrazinecarbothioamide::CHEMBL181504

SMILES: CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ZFWBXQAVLYJGIL-UHFFFAOYSA-N

Data: 3 IC50

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 = 50157204   

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
Falcipain-2 (Plasmodium falciparum)	BDBM50157204 ((1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemica...) Show SMILES CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-2-3-4-11(16-17-12(15)18)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H3,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157204 ((1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemica...) Show SMILES CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-2-3-4-11(16-17-12(15)18)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H3,15,17,18)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50157204 ((1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemica...) Show SMILES CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-2-3-4-11(16-17-12(15)18)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H3,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair