BindingDB PrimarySearch

BDBM18506 6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylmethyl}pteridine-2,4-diamine::CHEMBL301769::Pteridine compound, 17

SMILES: Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc34)cnc2n1

InChI Key: InChIKey=NXCCIJQEAKMFGW-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 18506
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydrofolate Reductase (DHFR) (Bacillus cereus (ATCC 14579))	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	7.0	25
University of Connecticut at Storrs					Assay Description Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...				Antimicrob Agents Chemother 50: 3435-43 (2006) Article DOI: 10.1128/AAC.00386-06 BindingDB Entry DOI: 10.7270/Q2FQ9TVF
University of Connecticut at Storrs					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Mycobacterium avium				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Rat liver				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Pneumocystis carinii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Toxoplasma gondii)	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Toxoplasma gondii.				J Med Chem 42: 4853-60 (1999) BindingDB Entry DOI: 10.7270/Q2S46R5R
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range : 58-110				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrohydrofolate reductase(DHFR) of Toxoplasma gondii				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range : 2500-3600				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range : 32-47				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range : 9.1-17				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18506 (6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair