BDBM50174774 2‐({[3‐chloro‐4‐(4‐chloro‐2‐ hydroxyphenoxy)phenyl]amino}methyl)benzonitrile (10)::2-((3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenylamino)methyl)benzonitrile::CHEMBL200492

SMILES: Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl

InChI Key: InChIKey=VIBJLVSRNLWMPR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50174774   

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
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174774 (2‐({[3‐chloro‐4‐(4‐c...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-5-7-20(18(25)9-15)26-19-8-6-16(10-17(19)22)24-12-14-4-2-1-3-13(14)11-23/h1-10,24-25H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50174774 (2‐({[3‐chloro‐4‐(4‐c...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-5-7-20(18(25)9-15)26-19-8-6-16(10-17(19)22)24-12-14-4-2-1-3-13(14)11-23/h1-10,24-25H,12H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair