Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

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   (235/238 = 99%)† (Plasmodium vivax (malaria parasite P. vivax))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.210	-55.2	180	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 (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N]   (235/238 = 99%)† (Plasmodium vivax (malaria parasite P. vivax))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.04	n/a	2.00E+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 (crystal)

• Reorder this table by ec50
• Reorder this table by ic50
• Reorder this table by Kd
• Reorder this table by pH
• Reorder this table by T
• Reorder this table by ΔH°
• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

Search BindingMOAD for More Affinity Data: