BDBM50102503 2,4-Diamino-5-{3-[3-[2-benzoyloxy)ethyl]-3-benzyl-triazen-1-yl]-4-chlorophenyl}-6-ethylpyrimidine::CHEMBL87013

SMILES: CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(=O)c1ccccc1)Cc1ccccc1

InChI Key: InChIKey=WQKMYKOCGFEROI-XAHDOWKMSA-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 = 50102503   

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
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50102503 (2,4-Diamino-5-{3-[3-[2-benzoyloxy)ethyl]-3-benzyl-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C28H28ClN7O2/c1-2-23-25(26(30)33-28(31)32-23)21-13-14-22(29)24(17-21)34-35-36(18-19-9-5-3-6-10-19)15-16-38-27(37)20-11-7-4-8-12-20/h3-14,17H,2,15-16,18H2,1H3,(H4,30,31,32,33)/b35-34+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase DHFR in rat liver				J Med Chem 44: 2555-64 (2001) Article DOI: 10.1021/jm0108698 BindingDB Entry DOI: 10.7270/Q2SX6CHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50102503 (2,4-Diamino-5-{3-[3-[2-benzoyloxy)ethyl]-3-benzyl-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C28H28ClN7O2/c1-2-23-25(26(30)33-28(31)32-23)21-13-14-22(29)24(17-21)34-35-36(18-19-9-5-3-6-10-19)15-16-38-27(37)20-11-7-4-8-12-20/h3-14,17H,2,15-16,18H2,1H3,(H4,30,31,32,33)/b35-34+	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.				J Med Chem 44: 2555-64 (2001) Article DOI: 10.1021/jm0108698 BindingDB Entry DOI: 10.7270/Q2SX6CHM
					More data for this Ligand-Target Pair