BDBM50081905 5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL31946

SMILES: CCCCOc1cccc(Cc2cnc(N)nc2N)c1

InChI Key: InChIKey=WHVMKGLHPRGZHK-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 50081905   

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))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	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	3.60	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))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	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	150	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 (Escherichia coli)	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uniroyal Chemical Co., Inc. Curated by ChEMBL					Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase				J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Salmonella enterica subsp. enterica serovar Typhi)	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase				J Med Chem 34: 46-54 (1991) BindingDB Entry DOI: 10.7270/Q2X92CH4
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Medical University Curated by ChEMBL					Assay Description Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase				J Med Chem 31: 366-70 (1988) BindingDB Entry DOI: 10.7270/Q2BV7JTC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli				J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	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	220	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
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase from bovine liver				J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp)				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	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	930	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 (Gallus gallus (Chicken))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against chicken liver dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine heart phosphodiesterase				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50081905 (5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...) Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair