BDBM50344450 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-3-p-tolylthiourea::CHEMBL1780020

SMILES: Cc1ccc(NC(=S)N(Cc2ccc3OCOc3c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1

InChI Key: InChIKey=XOLHIDMXDDODJW-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50344450   

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 2 (Plasmodium falciparum)	BDBM50344450 (1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((8-methyl-2-...) Show SMILES Cc1ccc(NC(=S)N(Cc2ccc3OCOc3c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 Show InChI InChI=1S/C27H25N3O3S/c1-17-6-9-22(10-7-17)28-27(34)30(14-19-8-11-23-24(12-19)33-16-32-23)15-21-13-20-5-3-4-18(2)25(20)29-26(21)31/h3-13H,14-16H2,1-2H3,(H,28,34)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50344450 (1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((8-methyl-2-...) Show SMILES Cc1ccc(NC(=S)N(Cc2ccc3OCOc3c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 Show InChI InChI=1S/C27H25N3O3S/c1-17-6-9-22(10-7-17)28-27(34)30(14-19-8-11-23-24(12-19)33-16-32-23)15-21-13-20-5-3-4-18(2)25(20)29-26(21)31/h3-13H,14-16H2,1-2H3,(H,28,34)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay				Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK
					More data for this Ligand-Target Pair