Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 18782   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax))	BDBM18782 (5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diami...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C16H22N4/c1-5-12-13(14(17)20-15(18)19-12)10-6-8-11(9-7-10)16(2,3)4/h6-9H,5H2,1-4H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14	-51.0	1.76E+3	n/a	n/a	n/a	n/a	7.0	25
National Center for Genetic Engineering and Biotechnology at Thailand					Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...				Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P
					More data for this Ligand-Target Pair				3D Structure (docked)
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM18782 (5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diami...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C16H22N4/c1-5-12-13(14(17)20-15(18)19-12)10-6-8-11(9-7-10)16(2,3)4/h6-9H,5H2,1-4H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL					Assay Description Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)				J Med Chem 45: 1244-52 (2002) BindingDB Entry DOI: 10.7270/Q2Z89BQ1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (Plasmodium vivax (malaria parasite P. vivax))	BDBM18782 (5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diami...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C16H22N4/c1-5-12-13(14(17)20-15(18)19-12)10-6-8-11(9-7-10)16(2,3)4/h6-9H,5H2,1-4H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47.5	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand					Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...				Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P
					More data for this Ligand-Target Pair				3D Structure (docked)