Compile Data Set for Download or QSAR
Found 353 with Last Name = 'roche' and Initial = 'j'
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM21281((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)copy SMILEScopy InChI
Affinity DataKi:  0.280nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)copy SMILEScopy InChI
Affinity DataKi:  0.600nMAssay Description:Binding affinity to human CB2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RXHPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068669(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)copy SMILEScopy InChI
Affinity DataKi:  2.10nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50200170(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)copy SMILEScopy InChI
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RXHPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM21281((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)copy SMILEScopy InChI
Affinity DataKi:  2.5nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068666(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)copy SMILEScopy InChI
Affinity DataKi:  2.70nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068666(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)copy SMILEScopy InChI
Affinity DataKi:  2.70nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068669(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)copy SMILEScopy InChI
Affinity DataKi:  2.90nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068669(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)copy SMILEScopy InChI
Affinity DataKi:  9.40nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068669(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)copy SMILEScopy InChI
Affinity DataKi:  9.44nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068666(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand at site 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50493249(CHEMBL2420249)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RXHPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50493245(CHEMBL2420251)copy SMILEScopy InChI
Affinity DataKi:  29nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RXHPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50493248(CHEMBL2420252)copy SMILEScopy InChI
Affinity DataKi:  94nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RXHPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068667(4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-in...)copy SMILEScopy InChI
Affinity DataKi:  132nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068667(4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-in...)copy SMILEScopy InChI
Affinity DataKi:  148nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50493247(CHEMBL2420248)copy SMILEScopy InChI
Affinity DataKi:  527nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RXHPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068666(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)copy SMILEScopy InChI
Affinity DataKi:  611nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand at site 2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068668(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylide...)copy SMILEScopy InChI
Affinity DataKi:  658nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068667(4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-in...)copy SMILEScopy InChI
Affinity DataKi:  928nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50493246(CHEMBL2420250)copy SMILEScopy InChI
Affinity DataKi:  1.22E+3nMAssay Description:Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RXHPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068668(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylide...)copy SMILEScopy InChI
Affinity DataKi:  1.95E+3nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Kennesaw State University

Curated by ChEMBL
LigandPNGBDBM50068668(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylide...)copy SMILEScopy InChI
Affinity DataKi:  2.18E+3nMAssay Description:Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ST7QJJPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM323704(US10188756, Compound CN107)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM323702(US10188756, Compound CN89)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM323704(US10188756, Compound CN107)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM323704(US10188756, Compound CN107)copy SMILEScopy InChI
Affinity DataIC50: 1.20nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM323704(US10188756, Compound CN107)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM323702(US10188756, Compound CN89)copy SMILEScopy InChI
Affinity DataIC50: 3.40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM22449(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)copy SMILEScopy InChI
In DepthDetails
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM323702(US10188756, Compound CN89)copy SMILEScopy InChI
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM323702(US10188756, Compound CN89)copy SMILEScopy InChI
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50015233(CHEMBL3262727)copy SMILEScopy InChI
Affinity DataIC50: 5.20nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50613620(CHEMBL5275736)copy SMILES
Affinity DataIC50: 9.60nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM50525406(CHEMBL164868)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate measured after 10 mins by fluorimetry assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23J3HDSPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50613612(CHEMBL5283887)copy SMILES
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50525406(CHEMBL164868)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23J3HDSPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)copy SMILEScopy InChI
Affinity DataIC50: 15nMMore data for this Ligand-Target Pair
In DepthDetails
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50525406(CHEMBL164868)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay Description:Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23J3HDSPubMed
TargetHistone deacetylase 8(Homo sapiens (Human))TBA
LigandPNGBDBM50613614(CHEMBL5276344)copy SMILES
Affinity DataIC50: 18nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50613612(CHEMBL5283887)copy SMILES
Affinity DataIC50: 20nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50525406(CHEMBL164868)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate measured after 30 mins by fluorimetry assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23J3HDSPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50613615(CHEMBL5265931)copy SMILES
Affinity DataIC50: 24nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 30nMMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 32nMMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50332494((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...)copy SMILEScopy InChI
Affinity DataIC50: 35nMMore data for this Ligand-Target Pair
In DepthDetails
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
UMR CNRS 7285

Curated by ChEMBL
LigandPNGBDBM50525406(CHEMBL164868)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of human recombinant HDAC10 using fluorogenic HDAC substrate measured after 45 mins by fluorimetry assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23J3HDSPubMed
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Addex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50492703(CHEMBL2408158)copy SMILEScopy InChI
Affinity DataIC50: 53nMAssay Description:Negative allosteric modulation of rat mGluR5 receptor expressed in HEK293 cells assessed as intracellular calcium flux after 170 seconds by FLIPR ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29S1V02PubMed
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