BDBM50391222 CHEMBL174617

SMILES: Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1

InChI Key: InChIKey=ZASVHVWYIHBJJR-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50391222   

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 (DHFR) (Candida albicans)	BDBM50391222 (CHEMBL174617) Show SMILES Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1 Show InChI InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50391222 (CHEMBL174617) Show SMILES Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1 Show InChI InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from rat				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Candida albicans)	BDBM50391222 (CHEMBL174617) Show SMILES Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1 Show InChI InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Candida albicans)	BDBM50391222 (CHEMBL174617) Show SMILES Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1 Show InChI InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz Center for Medicine and Biosciences Curated by ChEMBL					Assay Description Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli				J Med Chem 47: 240-53 (2003) Article DOI: 10.1021/jm030931w BindingDB Entry DOI: 10.7270/Q2DB831H
					More data for this Ligand-Target Pair