BDBM50077797 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(4-ethoxycarbonyl-butyl)-amino]-benzoylamino}-pentanedioic acid diethyl ester::CHEMBL35552

SMILES: CCOC(=O)CCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC

InChI Key: InChIKey=KGBZTVGRZPTUOT-UHFFFAOYSA-N

Data: 2 KI

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 = 50077797   

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 (Homo sapiens (Human))	BDBM50077797 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(4-ethoxyc...) Show SMILES CCOC(=O)CCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C30H40N8O7/c1-4-43-23(39)9-7-8-16-38(18-20-17-33-27-25(34-20)26(31)36-30(32)37-27)21-12-10-19(11-13-21)28(41)35-22(29(42)45-6-3)14-15-24(40)44-5-2/h10-13,17,22H,4-9,14-16,18H2,1-3H3,(H,35,41)(H4,31,32,33,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077797 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(4-ethoxyc...) Show SMILES CCOC(=O)CCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C30H40N8O7/c1-4-43-23(39)9-7-8-16-38(18-20-17-33-27-25(34-20)26(31)36-30(32)37-27)21-12-10-19(11-13-21)28(41)35-22(29(42)45-6-3)14-15-24(40)44-5-2/h10-13,17,22H,4-9,14-16,18H2,1-3H3,(H,35,41)(H4,31,32,33,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	453	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase in humans				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair