Compile Data Set for Download or QSAR
Found 1003 with Last Name = 'schmidt' and Initial = 'sj'
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50315769(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)copy SMILEScopy InChI
Affinity DataKi:  0.380nMAssay Description:Competitive inhibition of Aurora B ATP binding siteMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50315769(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)copy SMILEScopy InChI
Affinity DataKi:  0.380nMAssay Description:Competitive inhibition of human Aurora B ATP binding site by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase A(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50058526((S)-3-{[(1S,9S)-9-(4-Carboxymethoxy-benzoylamino)-...)copy SMILEScopy InChI
Affinity DataKi:  1nMAssay Description:Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0ZSQPubMed
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50058530((S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dio...)copy SMILEScopy InChI
Affinity DataKi:  1nMAssay Description:Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0ZSQPubMed
TargetAurora kinase C(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50315769(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)copy SMILEScopy InChI
Affinity DataKi:  1.5nMAssay Description:Competitive inhibition of human Aurora C ATP binding siteMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKi:  1.80nMAssay Description:Competitive inhibition of Aurora B ATP binding siteMore data for this Ligand-Target Pair
Target7-dehydrocholesterol reductase(Rattus norvegicus)
Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50406621(CHEMBL9820)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Compound was tested for the inhibition of Delta-(24)-sterol reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C82BHDPubMed
TargetAurora kinase C(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKi:  4.60nMAssay Description:Competitive inhibition of Aurora C ATP binding siteMore data for this Ligand-Target Pair
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50058528((S)-3-[((1S,9S)-9-Benzoylamino-6,10-dioxo-octahydr...)copy SMILEScopy InChI
Affinity DataKi:  5nMAssay Description:Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0ZSQPubMed
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50058527((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)copy SMILEScopy InChI
Affinity DataKi:  6nMAssay Description:Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0ZSQPubMed
Target7-dehydrocholesterol reductase(Rattus norvegicus)
Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50406617(CHEMBL276388)copy SMILEScopy InChI
Affinity DataKi:  7nMAssay Description:Compound was tested for the inhibition of Delta-(24)-sterol reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C82BHDPubMed
Target7-dehydrocholesterol reductase(Rattus norvegicus)
Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50406618(CHEMBL9875)copy SMILEScopy InChI
Affinity DataKi:  12nMAssay Description:Compound was tested for the inhibition of delta24-sterol reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C82BHDPubMed
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50176519((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Binding affinity against IL-1 beta converting enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668D5S
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50286304((R)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Binding affinity against IL-1 beta converting enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668D5S
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50058529((S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0ZSQPubMed
TargetCaspase-1(Homo sapiens (Human))
Sanofi Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50058531((S)-3-[((1S,9S)-9-Benzyloxycarbonylamino-6,10-diox...)copy SMILEScopy InChI
Affinity DataKi:  25nMAssay Description:Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0ZSQPubMed
Target7-dehydrocholesterol reductase(Rattus norvegicus)
Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50406620(CHEMBL9864)copy SMILEScopy InChI
Affinity DataKi:  33nMAssay Description:Compound was tested for the inhibition of delta24-sterol reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C82BHDPubMed
Target7-dehydrocholesterol reductase(Rattus norvegicus)
Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50406616(CHEMBL268041)copy SMILEScopy InChI
Affinity DataKi:  48nMAssay Description:Compound was tested for the inhibition of delta24-sterol reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C82BHDPubMed
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))TBA
LigandPNGBDBM50615186(CHEMBL5282514)copy SMILES
Affinity DataKi:  393nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))TBA
LigandPNGBDBM50615190(CHEMBL5269464)copy SMILES
Affinity DataKi:  398nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))TBA
LigandPNGBDBM50615189(CHEMBL5279198)copy SMILES
Affinity DataKi:  459nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetAurora kinase A(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50315769(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)copy SMILEScopy InChI
Affinity DataKi:  490nMAssay Description:Competitive inhibition of human Aurora A ATP binding siteMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase A(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50315769(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)copy SMILEScopy InChI
Affinity DataKi:  492nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))TBA
LigandPNGBDBM50615188(CHEMBL5275339)copy SMILES
Affinity DataKi:  775nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
Target7-dehydrocholesterol reductase(Rattus norvegicus)
Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50406619(CHEMBL9808)copy SMILEScopy InChI
Affinity DataKi:  2.00E+3nMAssay Description:Compound was tested for the inhibition of Delta-(24)-sterol reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C82BHDPubMed
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))TBA
LigandPNGBDBM50615185(CHEMBL5265971)copy SMILES
Affinity DataKi:  4.23E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetGenome polyprotein(Dengue virus 2)TBA
LigandPNGBDBM50572174(CHEMBL4878316)copy SMILES
Affinity DataKi:  7.67E+3nMAssay Description:Binding affinity to DENV2 NS2B-NS3 protease by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D50RR1PubMed
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))TBA
LigandPNGBDBM50615187(CHEMBL5289898)copy SMILES
Affinity DataKi:  1.84E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316497(CHEMBL1097106 | N-{4-[1-(2,3-Dihydroxypropyl)-4-(1...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50241089(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Competitive inhibition of Aurora B ATP binding siteMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316473(4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.40nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316475(CHEMBL1097191 | N-Ethyl-N'-[4-(1-ethyl-4-{2-[4-(1-...)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316471(4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
LigandPNGBDBM50091691(CHEMBL3582356)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316492(1-(4-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316498(CHEMBL1097454 | N-{4-[1-(3-Hydroxypropyl)-4-(1H-py...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316474(4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
LigandPNGBDBM50091689(CHEMBL3582354)copy SMILEScopy InChI
Affinity DataIC50: 2.60nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132G](Homo sapiens (Human))
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)copy SMILES
Affinity DataIC50: 2.90nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316496(CHEMBL1099010 | N-{4-[1-(2-Hydroxyethyl)-4-(1H-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316470(4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316472(4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)copy SMILES
Affinity DataIC50: 3.80nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM31093(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
LigandPNGBDBM50091692(CHEMBL3582357)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
LigandPNGBDBM50091696(CHEMBL3582351)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kdelta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
LigandPNGBDBM50091695(CHEMBL3582350)copy SMILEScopy InChI
Affinity DataIC50: 4.40nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
TargetAurora kinase B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50316476(CHEMBL1097521 | N'-[4-(1-Ethyl-4-{2-[4-(1-pyrrolid...)copy SMILEScopy InChI
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human Aurora B by rapid dilution methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27082CKPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Albert Einstein College of Medicine

LigandPNGBDBM195601(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)copy SMILES
Affinity DataIC50: 4.60nMT: 2°CAssay Description:RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...More data for this Ligand-Target Pair
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