Compile Data Set for Download or QSAR

Found 30 hits of Enzyme Inhibition Constant Data   

TargetEstrogen receptor(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276880(CHEMBL4171598)copy SMILEScopy InChI
Affinity DataKi:  0.5nMAssay Description:Binding affinity to ERalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276880(CHEMBL4171598)copy SMILEScopy InChI
Affinity DataKi:  0.900nMAssay Description:Binding affinity to ERbeta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276892(CHEMBL4167943)copy SMILEScopy InChI
Affinity DataKi:  3nMAssay Description:Inhibition of [125I]2-(3'-Iodo-4'-N-methylaminophenyl) benzothiazole binding to amyloid beta (1 to 40) (unknown origin) after 3 hrs by NaI well count...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276892(CHEMBL4167943)copy SMILEScopy InChI
Affinity DataKi:  3.70nMAssay Description:Inhibition of [125I]2-(3'-Iodo-4'-N-methylaminophenyl) benzothiazole binding to amyloid beta (1 to 42) (unknown origin) after 3 hrs by NaI well count...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276883(CHEMBL4175800)copy SMILEScopy InChI
Affinity DataKi:  4.30nMAssay Description:Inhibition of [125I]2-(3'-Iodo-4'-N-methylaminophenyl) benzothiazole binding to amyloid beta (1 to 40) (unknown origin) after 3 hrs by NaI well count...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276883(CHEMBL4175800)copy SMILEScopy InChI
Affinity DataKi:  4.31nMAssay Description:Inhibition of [125I]2-(3'-Iodo-4'-N-methylaminophenyl) benzothiazole binding to amyloid beta (1 to 40) (unknown origin) after 3 hrs by NaI well count...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276901(CHEMBL4167219)copy SMILEScopy InChI
Affinity DataKi:  9nMAssay Description:Inhibition of human erythrocytes mu-calpain using SucLeu-Tyr-AMC as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276899(CHEMBL4166725)copy SMILEScopy InChI
Affinity DataKi:  1.18E+4nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276882(CHEMBL4162224)copy SMILEScopy InChI
Affinity DataKi:  5.98E+4nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetCholinesterase(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276899(CHEMBL4166725)copy SMILEScopy InChI
Affinity DataKi:  3.41E+5nMAssay Description:Inhibition of BuChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetCholinesterase(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276882(CHEMBL4162224)copy SMILEScopy InChI
Affinity DataKi:  4.89E+6nMAssay Description:Inhibition of BuChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276884(CHEMBL42707)copy SMILEScopy InChI
Affinity DataIC50: 0.00200nMAssay Description:Displacement of [3H]17beta-estradiol from ER in human MCF7 cells after 18 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276893(CHEMBL1193539)copy SMILEScopy InChI
Affinity DataIC50: 0.0460nMAssay Description:Displacement of [3H]17beta-estradiol from ER in human MCF7 cells after 18 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276880(CHEMBL4171598)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMAssay Description:Antagonist activity at ER in human MCF7 cells assessed as inhibition of 17beta-estradiol-induced cell proliferationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM16452((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)copy SMILEScopy InChI
Affinity DataIC50: 3.10nMAssay Description:Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPHMore data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276900(CHEMBL4168213)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276880(CHEMBL4171598)copy SMILEScopy InChI
Affinity DataIC50: 53nMAssay Description:Antagonist activity at ER in human Ishikawa cells assessed as inhibition of E2-induced alkaline phosphatase induction after 72 hrs by PNPP substrate ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50008489((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50008435((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276881(CHEMBL4160296)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM126720(US8778932, 31)copy SMILEScopy InChI
Affinity DataIC50: 201nMAssay Description:Antagonist activity at human GABA-A alpha5 receptor expressed in HEK293 cell membranes assessed as inhibition of GABA-induced response preincubated f...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM126720(US8778932, 31)copy SMILEScopy InChI
Affinity DataIC50: 479nMAssay Description:Antagonist activity at human GABA-A alpha1 receptor expressed in HEK293 cell membranes assessed as inhibition of GABA-induced response preincubated f...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276879(CHEMBL4177357)copy SMILEScopy InChI
Affinity DataIC50: 600nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276891(CHEMBL4176954)copy SMILEScopy InChI
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276902(CHEMBL4169090)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276889(CHEMBL4170011)copy SMILEScopy InChI
Affinity DataIC50: 1.22E+4nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276890(CHEMBL4165528)copy SMILEScopy InChI
Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)copy SMILEScopy InChI
Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276894(CHEMBL4173449)copy SMILEScopy InChI
Affinity DataIC50: 1.77E+4nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Jain University

Curated by ChEMBL
LigandPNGBDBM50276880(CHEMBL4171598)copy SMILEScopy InChI
Affinity DataEC50:  0.900nMAssay Description:Agonist activity at ER in human Ishikawa cells assessed as alkaline phosphatase induction after 72 hrs by PNPP substrate based spectophotometric meth...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24ZZCPubMed
* indicates data uncertainty>20%