BDBM50077795 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(5-ethoxycarbonyl-pentyl)-amino]-benzoylamino}-pentanedioic acid diethyl ester::CHEMBL265757

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

InChI Key: InChIKey=HPAONGVVQJFOPD-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 = 50077795   

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))	BDBM50077795 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(5-ethoxyc...) Show SMILES CCOC(=O)CCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C31H42N8O7/c1-4-44-24(40)10-8-7-9-17-39(19-21-18-34-28-26(35-21)27(32)37-31(33)38-28)22-13-11-20(12-14-22)29(42)36-23(30(43)46-6-3)15-16-25(41)45-5-2/h11-14,18,23H,4-10,15-17,19H2,1-3H3,(H,36,42)(H4,32,33,34,37,38)	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	56	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))	BDBM50077795 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(5-ethoxyc...) Show SMILES CCOC(=O)CCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C31H42N8O7/c1-4-44-24(40)10-8-7-9-17-39(19-21-18-34-28-26(35-21)27(32)37-31(33)38-28)22-13-11-20(12-14-22)29(42)36-23(30(43)46-6-3)15-16-25(41)45-5-2/h11-14,18,23H,4-10,15-17,19H2,1-3H3,(H,36,42)(H4,32,33,34,37,38)	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	485	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