null

SMILES: CCc1nnc(NC(=O)CCc2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)s1

InChI Key: InChIKey=LYCLXIQEHQSLKK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50452173   

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
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452173 (CHEMBL1939368) Show SMILES CCc1nnc(NC(=O)CCc2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)s1 Show InChI InChI=1S/C19H19FN4O3S2/c1-2-18-22-23-19(28-18)21-17(25)12-5-13-3-10-16(11-4-13)29(26,27)24-15-8-6-14(20)7-9-15/h3-4,6-11,24H,2,5,12H2,1H3,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50452173 (CHEMBL1939368) Show SMILES CCc1nnc(NC(=O)CCc2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)s1 Show InChI InChI=1S/C19H19FN4O3S2/c1-2-18-22-23-19(28-18)21-17(25)12-5-13-3-10-16(11-4-13)29(26,27)24-15-8-6-14(20)7-9-15/h3-4,6-11,24H,2,5,12H2,1H3,(H,21,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DHFR				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50452173 (CHEMBL1939368) Show SMILES CCc1nnc(NC(=O)CCc2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)s1 Show InChI InChI=1S/C19H19FN4O3S2/c1-2-18-22-23-19(28-18)21-17(25)12-5-13-3-10-16(11-4-13)29(26,27)24-15-8-6-14(20)7-9-15/h3-4,6-11,24H,2,5,12H2,1H3,(H,21,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DHFR using DHF as substrate preincubated for 15 mins followed DHF addition measured after 15 mins by spectrophoto...				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50452173 (CHEMBL1939368) Show SMILES CCc1nnc(NC(=O)CCc2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)s1 Show InChI InChI=1S/C19H19FN4O3S2/c1-2-18-22-23-19(28-18)21-17(25)12-5-13-3-10-16(11-4-13)29(26,27)24-15-8-6-14(20)7-9-15/h3-4,6-11,24H,2,5,12H2,1H3,(H,21,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FP2				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair