Compile Data Set for Download or QSAR
maximum 50k data
Found 1990 with Last Name = 'sze' and Initial = 'j'
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM21147((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Affinity DataKi:  0.350nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50289127((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...)
Affinity DataKi:  0.360nMAssay Description:Inhibition of matrix metalloproteinase-3(MMP-3).More data for this Ligand-Target Pair
In DepthDetails Article
TargetBombesin receptor subtype-3(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50275902(CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...)
Affinity DataKi:  0.360nMAssay Description:Binding affinity to BRS-3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50354216(CHEMBL1836004)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50146441(3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM50364921(CHEMBL1950329)
Affinity DataKi:  0.560nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274186((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Affinity DataKi:  0.660nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274782(8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl](pro...)
Affinity DataKi:  0.810nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274784(3-{[3-(5-Fluoro-1H-indol-3-yl)propyl](propyl)amino...)
Affinity DataKi:  0.930nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM86708(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Affinity DataKi:  0.960nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastrin-releasing peptide receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50275902(CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...)
Affinity DataKi:  0.990nMAssay Description:Binding affinity to gastrin releasing peptide receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50392835(CHEMBL2151181)
Affinity DataKi: <1nMAssay Description:Inhibition of human recombinant BACE2 by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50146433(8-Ethylsulfanyl-3-methyl-5-thiazol-2-yl-3,4-dihydr...)
Affinity DataKi:  1nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50146443(3-Methyl-8-(1-methyl-1H-[1,2,4]triazol-3-ylmethyls...)
Affinity DataKi:  1nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50085044((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Affinity DataKi:  1.10nMAssay Description:In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...Checked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274487(3-{Cyclobutyl[3-(5-methoxy-1H-indol-3-yl)propyl]am...)
Affinity DataKi:  1.19nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50191615((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM21147((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Affinity DataKi:  1.32nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274224((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Affinity DataKi:  1.32nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50164512(CHEMBL3800286)
Affinity DataKi:  1.40nMAssay Description:Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50191619((3R)-(-)-8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)pr...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50418564(CHEMBL423026)
Affinity DataKi:  1.5nMAssay Description:In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50191615((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50354214(CHEMBL1835992)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50392835(CHEMBL2151181)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human recombinant BACE1 by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274528((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Affinity DataKi:  1.73nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274528((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Affinity DataKi:  1.73nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274186((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Affinity DataKi:  1.75nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274186((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Affinity DataKi:  1.75nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50354205(CHEMBL1835999)
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274414((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...)
Affinity DataKi:  1.88nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274414((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...)
Affinity DataKi:  1.88nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50146438(8-Ethylsulfanyl-3-methyl-5-pyridin-2-yl-3,4-dihydr...)
Affinity DataKi:  1.90nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50289128((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Affinity DataKi:  1.90nMAssay Description:Inhibition of matrix metalloproteinase-3(MMP-3).More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274413((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Affinity DataKi:  1.98nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274413((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Affinity DataKi:  1.98nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50057073((2S,4R)-6-(4'-Fluoro-biphenyl-4-yl)-4-((S)-3-methy...)
Affinity DataKi:  2nMAssay Description:Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM21281((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Affinity DataKi:  2nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Selvita

Curated by ChEMBL
LigandPNGBDBM50166849(CHEMBL3797651)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50057050((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...)
Affinity DataKi:  2nMAssay Description:Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50146440(8-Ethylsulfanyl-3-methyl-5-pyrazin-2-yl-3,4-dihydr...)
Affinity DataKi:  2.10nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50191627((3R)-(-)-N-Cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl...)
Affinity DataKi:  2.14nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50065229(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Affinity DataKi:  2.20nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50146441(3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...)
Affinity DataKi:  2.30nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274782(8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl](pro...)
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274413((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Affinity DataKi:  2.44nMAssay Description:Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50274413((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Affinity DataKi:  2.44nMAssay Description:Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50146436(8-Ethylsulfanyl-3-methyl-5-oxazol-2-yl-3,4-dihydro...)
Affinity DataKi:  2.60nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50289128((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Affinity DataKi:  2.60nMAssay Description:Inhibition of matrix metalloproteinase-2(MMP-2)More data for this Ligand-Target Pair
In DepthDetails Article
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50146442(3-Methyl-5-thiazol-2-yl-8-(3H-[1,2,3]triazol-4-ylm...)
Affinity DataKi:  2.60nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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