Affinity Data by PubMed id=18804036

PubMed code 18804036

Found 24 hits of Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydrofolate reductase (Candida Glabrata)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Candida Glabrata)	BDBM18490 (6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...) Show SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Candida Glabrata)	BDBM26517 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]pyrimidin...) Show SMILES COc1ccc(OC)c(CC#Cc2cnc(N)nc2N)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Candida Glabrata)	BDBM18489 (5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...) Show SMILES COc1cc(CC#Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Candida Glabrata)	BDBM18492 (6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Candida Glabrata)	BDBM18496 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Candida Glabrata)	BDBM26518 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...) Show SMILES COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Candida Glabrata)	BDBM18491 (5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...) Show SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1cnc(N)nc1N Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Candida Glabrata)	BDBM18494 (3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-tr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18490 (6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...) Show SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida Glabrata)	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18495 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18496 (5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM26518 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...) Show SMILES COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18492 (6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18491 (5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...) Show SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1cnc(N)nc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18489 (5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...) Show SMILES COc1cc(CC#Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida Glabrata)	BDBM18493 (3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyp...) Show SMILES COc1cc(cc(OC)c1OC)C(O)C#Cc1cnc(N)nc1N Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM26517 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]pyrimidin...) Show SMILES COc1ccc(OC)c(CC#Cc2cnc(N)nc2N)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18494 (3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-tr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida Glabrata)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18493 (3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyp...) Show SMILES COc1cc(cc(OC)c1OC)C(O)C#Cc1cnc(N)nc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a	n/a	25
University of Connecticut					Assay Description Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorb...				Chem Biol 15: 990-6 (2008) Article DOI: 10.1016/j.chembiol.2008.07.013 BindingDB Entry DOI: 10.7270/Q290228K
University of Connecticut					More data for this Ligand-Target Pair				3D Structure (crystal)

* indicates data uncertainty>20%