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LigandPNGBDBM50508937(CHEMBL4448046)
Affinity DataKi:  0.700nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase JAK2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50433602(CHEMBL2381980)
Affinity DataKi:  0.720nMAssay Description:Competitive inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataKi:  0.900nM ΔG°:  -51.5kJ/mole IC50:  3.40nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203875(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataKi:  1.20nM ΔG°:  -50.7kJ/mole IC50:  4.20nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203870(7-(3-((3-Acetyl-4-boronophenoxy)methyl)-1,5-dimeth...)
Affinity DataKi:  1.20nM ΔG°:  -50.7kJ/mole IC50:  4.70nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase JAK2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50433601(CHEMBL2381983)
Affinity DataKi:  1.40nMAssay Description:Competitive inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203876(Mcl-1 inhibitor 12)
Affinity DataKi:  1.60nM ΔG°:  -50.0kJ/mole IC50:  5.96nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataKi:  7.5nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203871(7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataKi:  16nM ΔG°:  -44.3kJ/mole IC50:  59.5nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067004((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Affinity DataKi:  17nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067004((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Affinity DataKi:  17nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067007((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2...)
Affinity DataKi:  42nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50508939(CHEMBL4443085)
Affinity DataKi:  42nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203873(7-(3-((4-Boronophenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataKi:  44nM ΔG°:  -41.8kJ/mole IC50:  162nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50508950(CHEMBL4472439)
Affinity DataKi:  48nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067005((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2...)
Affinity DataKi:  52nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203872(7-(3-((3-Acetylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataKi:  64nM ΔG°:  -40.9kJ/mole IC50:  237nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203874(Mcl-1 inhibitor 10)
Affinity DataKi:  104nM ΔG°:  -39.7kJ/mole IC50:  383nMpH: 7.4 T: 24°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067003((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Affinity DataKi:  130nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067003((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Affinity DataKi:  130nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50508947(CHEMBL4460550)
Affinity DataKi:  155nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067006((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Affinity DataKi:  250nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50067006((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Affinity DataKi:  250nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50508938(CHEMBL1984039)
Affinity DataKi:  290nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50508940(CHEMBL4582512)
Affinity DataKi:  739nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50508942(CHEMBL4449849)
Affinity DataKi:  1.99E+3nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50508941(CHEMBL4442625)
Affinity DataKi:  4.96E+3nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50508941(CHEMBL4442625)
Affinity DataKi:  4.96E+3nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50508936(CHEMBL4590345)
Affinity DataKi:  5.21E+3nMAssay Description:Inhibition of Mcl1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003355(5-(4-Hexylsulfanyl-[1,2,5]thiadiazol-3-yl)-1-methy...)
Affinity DataIC50:  0.00100nMAssay Description:Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferensMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003363(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Affinity DataIC50:  0.00200nMAssay Description:Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferensMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003366(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Affinity DataIC50:  0.00400nMAssay Description:Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferensMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  0.00800nMAssay Description:Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferensMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAurora kinase A(Human)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM12407(3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Affinity DataIC50: <0.100nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAurora kinase A(Human)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM12408(3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin...)
Affinity DataIC50:  0.150nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAurora kinase A(Human)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50192283((S)-N-(5-(7-(2-hydroxy-3-(piperidin-1-yl)propoxy)-...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetAurora kinase A(Human)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50192281(3-chloro-N-(5-(6-methoxy-7-(3-(piperidin-1-yl)prop...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase JAK2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50343726((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Affinity DataIC50: <1nMAssay Description:Inhibition of human JAK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPoly [ADP-ribose] polymerase 1(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM27566(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Affinity DataIC50:  1nMAssay Description:Inhibition of full length human PARP1 expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPoly [ADP-ribose] polymerase 1(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50499821(CHEMBL3740104)
Affinity DataIC50:  1nMAssay Description:Inhibition of full length human PARP1 expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPoly [ADP-ribose] polymerase 2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50499821(CHEMBL3740104)
Affinity DataIC50:  1nMAssay Description:Inhibition of human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by strep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase ABL1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50392791(CHEMBL2151321 | US8486966, 1)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of AblMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Rat)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003351(3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,...)
Affinity DataIC50:  1.40nMAssay Description:Displacement of [3H]-oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acetylcholine receptor M1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50392791(CHEMBL2151321 | US8486966, 1)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of TrkAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Rat)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003369(1-Methyl-5-(4-propoxy-[1,2,5]thiadiazol-3-yl)-1,2,...)
Affinity DataIC50:  1.60nMAssay Description:In vitro binding affinity against rat hippocampus Muscarinic acetylcholine receptor M1 using [3H]-oxotremorine-M (Oxo-M) as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50392791(CHEMBL2151321 | US8486966, 1)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of Flt3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase Fgr(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50392791(CHEMBL2151321 | US8486966, 1)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of FgrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Rat)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003363(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Affinity DataIC50:  2.40nMAssay Description:Displacement of [3H]-oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acetylcholine receptor M1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetB-cell lymphoma 6 protein(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50239363(CHEMBL4094351)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of Bcl6 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTyrosine-protein kinase JAK2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50343727((S)-5-chloro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Affinity DataIC50: <3nMAssay Description:Inhibition of JAK2 after 60 minMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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