BDBM50081906 6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL135935

SMILES: CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1

InChI Key: InChIKey=PXQRPGCLAGOHNS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50081906   

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))	BDBM50081906 (6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1 Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)	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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081906 (6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1 Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)	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	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081906 (6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1 Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)	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	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from humans.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081906 (6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...) Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1 Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)	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	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.				J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG
					More data for this Ligand-Target Pair