BDBM50059944 4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenylamino]-methyl}-benzoic acid::CHEMBL103981

SMILES: CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O

InChI Key: InChIKey=MZSLFJYHWQGRQW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50059944   

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))	BDBM50059944 (4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N6O4/c1-2-14-17(18(21)25-20(22)24-14)13-7-8-15(16(9-13)26(29)30)23-10-11-3-5-12(6-4-11)19(27)28/h3-9,23H,2,10H2,1H3,(H,27,28)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from rat liver was evaluated using 90 microM dihydrofolic acid as substrate				J Med Chem 40: 3040-8 (1997) Article DOI: 10.1021/jm970055k BindingDB Entry DOI: 10.7270/Q2C53JZ2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50059944 (4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N6O4/c1-2-14-17(18(21)25-20(22)24-14)13-7-8-15(16(9-13)26(29)30)23-10-11-3-5-12(6-4-11)19(27)28/h3-9,23H,2,10H2,1H3,(H,27,28)(H4,21,22,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate				J Med Chem 40: 3040-8 (1997) Article DOI: 10.1021/jm970055k BindingDB Entry DOI: 10.7270/Q2C53JZ2
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50059944 (4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N6O4/c1-2-14-17(18(21)25-20(22)24-14)13-7-8-15(16(9-13)26(29)30)23-10-11-3-5-12(6-4-11)19(27)28/h3-9,23H,2,10H2,1H3,(H,27,28)(H4,21,22,24,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii was evaluated using 90 microM dihydrofolic acid as substrate				J Med Chem 40: 3040-8 (1997) Article DOI: 10.1021/jm970055k BindingDB Entry DOI: 10.7270/Q2C53JZ2
					More data for this Ligand-Target Pair