BDBM33405 2,4-diaminofuro[2,3-d]pyrimidine, 11

SMILES: CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC

InChI Key: InChIKey=VYSGSWCDOXJVNF-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 33405   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	7.4	37
Duquesne University					Assay Description Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.4	37
Duquesne University					Assay Description Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	9.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	4.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM33405 (2,4-diaminofuro[2,3-d]pyrimidine, 11) Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair