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TargetThyroid hormone receptor alpha(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Affinity DataKi:  0.220nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetD(2) dopamine receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeuromedin-K receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50505284(CHEMBL4576324)
Affinity DataKi:  0.300nMAssay Description:Displacement of [125I][MePhe]NKB from human NK3 receptor expressed in CHO cells membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKi:  0.320nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetThyroid hormone receptor alpha(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Affinity DataKi:  0.330nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Affinity DataKi:  0.370nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetSubstance-K receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50505284(CHEMBL4576324)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]NKA from human NK2 receptor expressed in CHO cells membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50396980(CHEMBL2171169)
Affinity DataKi:  0.460nMAssay Description:Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50036402(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Affinity DataKi:  0.470nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetD(2) dopamine receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Affinity DataKi:  0.5nM ΔG°:  -54.0kJ/mole IC50:  2.56nMT: 30°CAssay Description:Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159251(US9034874, 2.2)
Affinity DataKi:  0.5nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetThyroid hormone receptor alpha(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50036402(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Affinity DataKi:  0.510nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Affinity DataKi:  0.550nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

Target5-hydroxytryptamine receptor 1A(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Affinity DataKi:  0.620nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Affinity DataKi:  0.680nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50396979(CHEMBL2171170)
Affinity DataKi:  0.760nMAssay Description:Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50254013(3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]t...)
Affinity DataKi:  0.790nMAssay Description:Displacement of [3H]SCH5826 from human A2AAR incubated for 60 mins by scintillation counter analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50274809(3,5-Diiodo-4-(4'-hydroxy-3'-isopropylphenoxy)benzy...)
Affinity DataKi:  0.840nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580277(CHEMBL5088258)
Affinity DataKi:  0.870nMAssay Description:Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159252(US9034874, 2.3)
Affinity DataKi:  0.900nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
In DepthDetails US Patent


Target5-hydroxytryptamine receptor 1A(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580282(CHEMBL5079065)
Affinity DataKi:  0.950nMAssay Description:Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50274812(CHEMBL457528 | [3,5-Diiodo-4-(4'-hydroxy-3'-isopro...)
Affinity DataKi:  0.970nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetThyroid hormone receptor alpha(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Affinity DataKi:  1.09nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159248(US9034874, 1.5)
Affinity DataKi:  1.10nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159246(US9034874, 1.3)
Affinity DataKi:  1.20nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetD(2) dopamine receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetD(1A) dopamine receptor(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM82247(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159253(US9034874, 3.1)
Affinity DataKi:  1.20nMpH: 7.5Assay Description:The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetD(1A) dopamine receptor(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM86180(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)
Affinity DataKi:  1.24nM ΔG°:  -51.7kJ/mole IC50:  2.52nMT: 30°CAssay Description:Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetD(1A) dopamine receptor(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM82247(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Affinity DataKi:  1.24nMAssay Description:Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSubstance-P receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50505284(CHEMBL4576324)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]Sar SP from human NK1 receptor expressed in CHO cells membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159244(US9034874, 1.1)
Affinity DataKi:  1.30nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50274846(CHEMBL511862 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Affinity DataKi:  1.51nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159253(US9034874, 3.1)
Affinity DataKi:  1.60nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetThyroid hormone receptor alpha(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50274809(3,5-Diiodo-4-(4'-hydroxy-3'-isopropylphenoxy)benzy...)
Affinity DataKi:  1.84nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetFibroblast growth factor receptor 1(Human)
Shanghai University

Curated by ChEMBL
LigandPNGBDBM50504104(CHEMBL4446835)
Affinity DataKi:  1.90nMAssay Description:Irreversible inhibition of human FGFR1 using poly (Glu, Tyr)4:1 as substrate measured after 60 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetSubstance-P receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50116743(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...)
Affinity DataKi:  1.90nMAssay Description:Displacement of [3H]Sar SP from human NK1 receptor expressed in CHO cells membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBromodomain-containing protein 4 [75-147](Human)
Gilead Sciences

US Patent
LigandPNGBDBM404301(US10017501, Compound 1020-289)
Affinity DataKi:  2nMAssay Description:Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580295(CHEMBL5086693)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetBromodomain-containing protein 4 [368-440](Human)
Gilead Sciences

US Patent
LigandPNGBDBM404301(US10017501, Compound 1020-289)
Affinity DataKi:  2nMAssay Description:Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetThyroid hormone receptor beta(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50242403((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Affinity DataKi:  2.17nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580276(CHEMBL5076343)
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5-hydroxytryptamine receptor 2A(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Affinity DataKi:  2.24nMAssay Description:Displacement of [3H]Ketanserin from human 5HT2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159247(US9034874, 1.4)
Affinity DataKi:  2.30nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetHistamine H3 receptor(Human)
Novartis

US Patent
LigandPNGBDBM159245(US9034874, 1.2)
Affinity DataKi:  2.40nMAssay Description:The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50131550((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Affinity DataKi:  2.40nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50048466(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580285(CHEMBL5087228)
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

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