BDBM50018474 4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-phenol::CHEMBL23746

SMILES: CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O

InChI Key: InChIKey=WDRBPLXHBTYNRP-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50018474   

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 (Escherichia coli)	BDBM50018474 (4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against Escherichia coli DHFR				J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50018474 (4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	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 rat liver				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Plasmodium berghei (strain Anka))	BDBM50018474 (4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Neisseria gonorrhoeae)	BDBM50018474 (4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50018474 (4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	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				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair