BDBM50421812 CHEMBL25888

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

InChI Key: InChIKey=VLYJATOLYFZNCF-UHFFFAOYSA-N

Data: 5 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 = 50421812   

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 (Plasmodium berghei (strain Anka))	BDBM50421812 (CHEMBL25888) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O Show InChI InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	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 (Rattus norvegicus (rat))	BDBM50421812 (CHEMBL25888) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O Show InChI InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)	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	4.45E+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 (Homo sapiens (Human))	BDBM50421812 (CHEMBL25888) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O Show InChI InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)	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	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR)				J Med Chem 31: 122-9 (1988) BindingDB Entry DOI: 10.7270/Q24M95T9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Neisseria gonorrhoeae)	BDBM50421812 (CHEMBL25888) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O Show InChI InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	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)	BDBM50421812 (CHEMBL25888) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O Show InChI InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	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