BDBM50081913 5-(3-Decyloxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL334695

SMILES: CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1

InChI Key: InChIKey=MQDXWJHNAPIJKB-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 = 50081913   

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))	BDBM50081913 (5-(3-Decyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C21H32N4O/c1-2-3-4-5-6-7-8-9-13-26-19-12-10-11-17(15-19)14-18-16-24-21(23)25-20(18)22/h10-12,15-16H,2-9,13-14H2,1H3,(H4,22,23,24,25)	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	52	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))	BDBM50081913 (5-(3-Decyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C21H32N4O/c1-2-3-4-5-6-7-8-9-13-26-19-12-10-11-17(15-19)14-18-16-24-21(23)25-20(18)22/h10-12,15-16H,2-9,13-14H2,1H3,(H4,22,23,24,25)	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	750	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))	BDBM50081913 (5-(3-Decyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C21H32N4O/c1-2-3-4-5-6-7-8-9-13-26-19-12-10-11-17(15-19)14-18-16-24-21(23)25-20(18)22/h10-12,15-16H,2-9,13-14H2,1H3,(H4,22,23,24,25)	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	2.22E+3	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))	BDBM50081913 (5-(3-Decyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...) Show SMILES CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C21H32N4O/c1-2-3-4-5-6-7-8-9-13-26-19-12-10-11-17(15-19)14-18-16-24-21(23)25-20(18)22/h10-12,15-16H,2-9,13-14H2,1H3,(H4,22,23,24,25)	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	3.11E+3	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