BindingDB PrimarySearch

BDBM50127149 3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenyl]-prop-2-ynyloxy}-benzoic acid::CHEMBL35080

SMILES: COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O

InChI Key: InChIKey=QSXKRKHRVCAWRP-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50127149
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 (Rattus norvegicus (rat))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition Dihydrohydrofolate reductase(DHFR) of rat liver				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 (Mycobacterium avium)	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium				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 (DHFR) (Pneumocystis carinii)	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Dihydrohydrofolate reductase(DHFR) of Pneumocystis carinii				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 (Homo sapiens (Human))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of rat liver				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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