Compile Data Set for Download or QSAR
Found 119 from Dartmouth College
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18497(6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)but-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 1.40nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM331831(US10189791, CDDO-Im 1)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2571F3PUS Patent
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182852(US9149492, Compound 1D)copy SMILEScopy InChI
Affinity DataIC50: 3.20nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182851(US9149492, Compound 1C)copy SMILEScopy InChI
Affinity DataIC50: 3.60nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
AstraZeneca

LigandPNGBDBM398054(US10322118, Urea-Based Scaffold Entry 1)copy SMILEScopy InChI
Affinity DataIC50: 3.80nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KW5JC9US Patent
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182849(US9149492, Compound 1A)copy SMILEScopy InChI
Affinity DataIC50: 4.20nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM331833(US10189791, CDDO-3P-Im 3)copy SMILEScopy InChI
Affinity DataIC50: 4.30nMAssay Description:Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2571F3PUS Patent
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM331834(US10189791, CDDO-2P-Im 4)copy SMILEScopy InChI
Affinity DataIC50: 5.80nMAssay Description:Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2571F3PUS Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM50031873(5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-qu...)copy SMILEScopy InChI
Affinity DataIC50: 6.5nMAssay Description:Inhibition of Cryptosporidium hominis DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC1097PubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM331835(US10189791, CDDO-4P-Im 5)copy SMILEScopy InChI
Affinity DataIC50: 9nMAssay Description:Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2571F3PUS Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182850(US9149492, Compound 1B)copy SMILEScopy InChI
Affinity DataIC50: 10.3nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18498(6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 13nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM331832(US10189791, CDDO-Phenyl-Im 2)copy SMILEScopy InChI
Affinity DataIC50: 14.7nMAssay Description:Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2571F3PUS Patent
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
AstraZeneca

LigandPNGBDBM50327827(1-(4-Nitrophenyl)-3-(1-propionylpiperidin-4-yl)ure...)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KW5JC9US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18497(6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)but-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 38nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182848(US9149492, Eflucimibe (F12511))copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoMCE
PC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM50165429((4aS,6aS,6bR,12aS)-11-Cyano-2,2,6a,6b,9,9,12a-hept...)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of inducible nitric oxide synthase in activated macrophagesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N245RPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 2(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182848(US9149492, Eflucimibe (F12511))copy SMILEScopy InChI
Affinity DataIC50: 110nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoMCE
PC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 120nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18492(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 169nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM50082924(6-(10,11-Dihydro-dibenzo[b,f]azepin-5-ylmethyl)-pt...)copy SMILEScopy InChI
Affinity DataIC50: 210nMAssay Description:Inhibition of Pneumocystis carinii DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC1097PubMed
TargetSterol O-acyltransferase 2(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182849(US9149492, Compound 1A)copy SMILEScopy InChI
Affinity DataIC50: 275nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182847(US9149492, K-604)copy SMILEScopy InChI
Affinity DataIC50: 450nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetSterol O-acyltransferase 2(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182851(US9149492, Compound 1C)copy SMILEScopy InChI
Affinity DataIC50: 530nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)copy SMILEScopy InChI
Affinity DataIC50: 550nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM50165431((4aS,6aS,6bR,12aR)-11-Cyano-2,2,6a,6b,9,9,12a-hept...)copy SMILEScopy InChI
Affinity DataIC50: 600nMAssay Description:Inhibition of inducible nitric oxide synthase in activated macrophagesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N245RPubMed
TargetSterol O-acyltransferase 2(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182852(US9149492, Compound 1D)copy SMILEScopy InChI
Affinity DataIC50: 600nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM50360304(CHEMBL516093 | US9149492, Beauveriolide I)copy SMILEScopy InChI
Affinity DataIC50: 600nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 880nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM50360305(CHEMBL409855 | US9149492, Beauveriolide III)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
AstraZeneca

LigandPNGBDBM398056(US10322118, Urea-Based Scaffold Entry 4)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KW5JC9US Patent
TargetSterol O-acyltransferase 2(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM182850(US9149492, Compound 1B)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N015BFUS Patent
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
AstraZeneca

LigandPNGBDBM398055(US10322118, Urea-Based Scaffold Entry 3)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KW5JC9US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18498(6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 1.91E+3nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
AstraZeneca

LigandPNGBDBM50385105(CHEMBL2035874 | US10322118, Entry 8b)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+3nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM50165436((4aS,6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-Heptamethyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of inducible nitric oxide synthase in activated macrophagesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N245RPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM50188084(5-(1-(3,4,5-trimethoxyphenyl)propyl)pyrimidine-2,4...)copy SMILEScopy InChI
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of Cryptosporidium hominis DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC1097PubMed
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
AstraZeneca

LigandPNGBDBM18864(3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...)copy SMILEScopy InChI
Affinity DataIC50: 4.40E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KW5JC9US Patent
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
AstraZeneca

LigandPNGBDBM18862(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)copy SMILEScopy InChI
Affinity DataIC50: 4.70E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18496(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18491(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)copy SMILEScopy InChI
Affinity DataIC50: 5.30E+3nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Trustees of Dartmouth College

US Patent
LigandPNGBDBM50165432((4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-Heptamethyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of inducible nitric oxide synthase in activated macrophagesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N245RPubMed
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
AstraZeneca

LigandPNGBDBM11639(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 7.40E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KW5JC9US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+3nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18494(3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-tr...)copy SMILEScopy InChI
Affinity DataIC50: 9.10E+3nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Dartmouth College

LigandPNGBDBM18495(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)copy SMILEScopy InChI
Affinity DataIC50: 9.80E+3nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
Dartmouth College

Curated by ChEMBL
LigandPNGBDBM18490(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)copy SMILEScopy InChI
Affinity DataIC50: 1.02E+4nMpH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KH0KKQPubMed
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