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TargetMu-type opioid receptor(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50474150(CHEMBL58362)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072905(CHEMBL3410078)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50505569(CHEMBL4557670)
Affinity DataIC50: 0.380nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells expressing human wild type amyloid precursor protein assessed as reduction in amyloidbeta40 production inc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM204940(I-25)
Affinity DataIC50: 0.580nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50: 0.600nMAssay Description:Binding affinity to human recombinant BACE-1 (1 to 460 residue) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072911(CHEMBL3410084)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50034711((1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine ...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity against Histamine H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50432632(CHEMBL2347211)
Affinity DataIC50: 0.840nMAssay Description:Inhibition of BACE1 (unknown origin) assessed as reduction in amyloid beta production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThymidylate kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50498068(CHEMBL3394234)
Affinity DataIC50: 1nMAssay Description:Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462004(CHEMBL4226007)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072900(CHEMBL3410073)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM22904(CHEMBL268229 | Alpha-Methylhistane-R | (2R)-1-(1H-...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity against Histamine H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM22904(CHEMBL268229 | Alpha-Methylhistane-R | (2R)-1-(1H-...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM204994(I-27)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462005(CHEMBL4227313)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462001(CHEMBL4227054)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Mouse)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50074325(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity against Cannabinoid receptor 2 in mouse spleenMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM47353(US9687494, 25 | BDBM143220 | US9029362, 173)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM47353(US9687494, 25 | BDBM143220 | US9029362, 173)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate incubated for 2 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462002(CHEMBL4226994)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50069825(4-Pyrrolidin-3-yl-1H-imidazole | CHEMBL79983)
Affinity DataKi:  2nMAssay Description:Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50498093(CHEMBL3394236)
Affinity DataIC50: 2nMAssay Description:Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetThymidylate kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50498069(CHEMBL3394233)
Affinity DataIC50: 2nMAssay Description:Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462007(CHEMBL4225154)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50069816(SCH-50971 | 4-((3R,4R)-4-Methyl-pyrrolidin-3-yl)-1...)
Affinity DataKi:  2.30nMAssay Description:Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072900(CHEMBL3410073)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072905(CHEMBL3410078)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50034708(4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Affinity DataKi:  2.80nMAssay Description:Binding affinity against Histamine H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072911(CHEMBL3410084)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50034708(4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Affinity DataKi:  2.80nMAssay Description:Binding affinity against Histamine H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2A adrenergic/Mu-type opioid receptor(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50000092(Analog of 14-(Arylhydroxyamino)codeinone | 4-methy...)
Affinity DataEC50:  3nMAssay Description:Inhibition of MOR/alpha2A adrenergic receptor heterodimer expressed in HEK293 cells assessed as stimulation of ERK1/2 phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50034708(4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Affinity DataKi:  3nMAssay Description:Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHistamine H3 receptor(Guinea pig)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50069823(4-((3S,4R)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Affinity DataKi:  3nMAssay Description:Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50474150(CHEMBL58362)
Affinity DataKi:  3nMAssay Description:Binding affinity to delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462008(CHEMBL4227851)
Affinity DataIC50: 3nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetThymidylate kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50498070(CHEMBL3394163)
Affinity DataIC50: 3nMAssay Description:Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072910(CHEMBL3410083)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shionogi

US Patent
LigandPNGBDBM714632(US20250025459, Compound I-017 | US20250127788, Com...)
Affinity DataIC50: 3.40nMAssay Description:Preparation of Assay Buffer:In this test, an assay buffer consisting of 20 mM Tris-Hl, 100 mM sodium chloride, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/25/2025
Entry Details
US Patent

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462011(CHEMBL4226467)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50570460(CHEMBL4854629)
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]-JNJ962 from BACE1 (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by scintillation counting a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Temple University

Curated by ChEMBL
LigandPNGBDBM50000092(Analog of 14-(Arylhydroxyamino)codeinone | 4-methy...)
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]DAMGO from mu opoid receptor in Dunkin-Hartley guinea pig brain after 1.5 hrs by liquid scintillation spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072902(CHEMBL3410075)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462006(CHEMBL4226730)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072904(CHEMBL3410077)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072899(CHEMBL3410072)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50072908(CHEMBL3410081)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblottingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2016
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM153632(US8999980, I-54)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
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