Compile Data Set for Download or QSAR
Found 23 with Last Name = 'surade' and Initial = 's'
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169700(CHEMBL3806115)copy SMILEScopy InChI
Affinity DataIC50: 1.13E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169698(CHEMBL3806191)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169698(CHEMBL3806191)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169702(CHEMBL3805279)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169702(CHEMBL3805279)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169700(CHEMBL3806115)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169698(CHEMBL3806191)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169702(CHEMBL3805279)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169700(CHEMBL3806115)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169702(CHEMBL3805279)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169700(CHEMBL3806115)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50169698(CHEMBL3806191)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228827(3-Cyclopentyl-1-(pyrrolidin-1-yl)propan-1-one (1))copy SMILEScopy InChI
Affinity DataKd:  1.20E+4nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)copy SMILEScopy InChI
Affinity DataKd:  73nMAssay Description:Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)copy SMILEScopy InChI
Affinity DataKd:  73nMAssay Description:Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)copy SMILEScopy InChI
Affinity DataKd:  73nMAssay Description:Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3VN4PubMed
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228834(3-(Furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one (8))copy SMILEScopy InChI
Affinity DataKd:  2.20E+4nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228828(Cyclopentylmethyl pyrrolidine-1-carboxylate (2))copy SMILEScopy InChI
Affinity DataKd:  1.50E+4nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2086460PubMed
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228832(N-(Cyclopentylmethyl)pyrrolidine-1-sulfonamide (6))copy SMILEScopy InChI
Affinity DataKd:  2.00E+4nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2086460PubMed
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228831(1-((2-Cyclopentylethyl)sulfonyl)pyrrolidine (5))copy SMILEScopy InChI
Affinity DataKd:  1.60E+4nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228830(N-(Cyclopentylmethyl)cyclopentanecarboxamide (4))copy SMILEScopy InChI
Affinity DataKd:  1.10E+4nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228829(N-(Cyclopentylmethyl)pyrrolidine-1-carboxamide (3))copy SMILEScopy InChI
Affinity DataKd:  6.00E+3nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM228833((E)-3-(Furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-...)copy SMILEScopy InChI
Affinity DataKd:  2.00E+4nMAssay Description:An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB