BDBM50057314 2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoyl}-methyl-amino)-pentanedioic acid::CHEMBL17287

SMILES: CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O

InChI Key: InChIKey=FZLSWQFQXKTWEX-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 = 50057314   

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))	BDBM50057314 (2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-y...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H25N7O5/c1-27(10-12-9-24-18-16(12)17(22)25-21(23)26-18)13-5-3-11(4-6-13)19(31)28(2)14(20(32)33)7-8-15(29)30/h3-6,9,14H,7-8,10H2,1-2H3,(H,29,30)(H,32,33)(H5,22,23,24,25,26)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50057314 (2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-y...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H25N7O5/c1-27(10-12-9-24-18-16(12)17(22)25-21(23)26-18)13-5-3-11(4-6-13)19(31)28(2)14(20(32)33)7-8-15(29)30/h3-6,9,14H,7-8,10H2,1-2H3,(H,29,30)(H,32,33)(H5,22,23,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50057314 (2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-y...) Show SMILES CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H25N7O5/c1-27(10-12-9-24-18-16(12)17(22)25-21(23)26-18)13-5-3-11(4-6-13)19(31)28(2)14(20(32)33)7-8-15(29)30/h3-6,9,14H,7-8,10H2,1-2H3,(H,29,30)(H,32,33)(H5,22,23,24,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair