Compile Data Set for Download or QSAR
Report error Found 78 Enz. Inhib. hit(s) with all data for entry = 50017918
TargetCytochrome P450 3A4(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam and testosterone as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 20nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50606073(CHEMBL5170429)
Affinity DataEC50:  100nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606072(CHEMBL5176506)
Affinity DataEC50:  110nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606066(CHEMBL5194447)
Affinity DataEC50:  120nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50052024(montelukast | CHEMBL787)
Affinity DataIC50: 130nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50606077(CHEMBL5180553)
Affinity DataEC50:  130nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606065(CHEMBL5173519)
Affinity DataEC50:  130nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50090677(CHEMBL1109 | 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-...)
Affinity DataIC50: 140nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606084(CHEMBL5205960)
Affinity DataEC50:  160nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataKd:  180nMAssay Description:Binding affinity to human CLpP assessed as dissociation constant by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606078(CHEMBL5197418)
Affinity DataEC50:  190nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataEC50:  200nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606086(CHEMBL5196310)
Affinity DataEC50:  210nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataIC50: 210nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606076(CHEMBL5193179)
Affinity DataEC50:  260nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606079(CHEMBL5185111)
Affinity DataEC50:  280nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606083(CHEMBL5190079)
Affinity DataEC50:  290nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606085(CHEMBL5172282)
Affinity DataEC50:  300nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606080(CHEMBL5170508)
Affinity DataEC50:  300nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606049(CHEMBL5196543)
Affinity DataEC50:  300nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50606071(CHEMBL5206788)
Affinity DataEC50:  320nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606055(CHEMBL5176285)
Affinity DataEC50:  320nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606067(CHEMBL5193731)
Affinity DataEC50:  360nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606081(CHEMBL5195731)
Affinity DataEC50:  360nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606070(CHEMBL5181406)
Affinity DataEC50:  390nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606082(CHEMBL5191962)
Affinity DataEC50:  400nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606069(CHEMBL5206329)
Affinity DataEC50:  420nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606075(CHEMBL5179264)
Affinity DataEC50:  440nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606063(CHEMBL5172475)
Affinity DataEC50:  450nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606074(CHEMBL5183001)
Affinity DataEC50:  500nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606062(CHEMBL5174896)
Affinity DataEC50:  500nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606051(CHEMBL5199237)
Affinity DataEC50:  510nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606054(CHEMBL5185632)
Affinity DataEC50:  580nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606052(CHEMBL5170872)
Affinity DataEC50:  640nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606057(CHEMBL5194951)
Affinity DataEC50:  640nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606053(CHEMBL5188070)
Affinity DataEC50:  660nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606056(CHEMBL5181638)
Affinity DataEC50:  980nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606048(DORDAVIPRONE | Dordaviprone | Onc 201 | Onc-201 | ...)
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606068(CHEMBL5191830)
Affinity DataEC50:  1.04E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606087(CHEMBL5195131)
Affinity DataEC50:  1.04E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606058(CHEMBL5197677)
Affinity DataEC50:  1.09E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606088(CHEMBL5179086)
Affinity DataEC50:  1.13E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606064(CHEMBL5197318)
Affinity DataEC50:  1.22E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606060(CHEMBL5181149)
Affinity DataEC50:  1.61E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606059(CHEMBL5192017)
Affinity DataEC50:  1.64E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606089(CHEMBL5178066)
Affinity DataEC50:  1.76E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50020712(CHEMBL629 | Amitriptylin | 10,11-dihydro-N,N-dimet...)
Affinity DataIC50: 1.81E+3nMAssay Description:Inhibition of hERG expressed in HEK293 cells by automated patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50103597(CHEBI:77260 | Antra | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50: 2.08E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606050(CHEMBL5189726)
Affinity DataEC50:  2.41E+3nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
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