Compile Data Set for Download or QSAR
Found 61 with Last Name = 'mclean' and Initial = 'kj'
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
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 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 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
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 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
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
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 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
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)copy SMILEScopy InChI
Affinity DataKd:  4.31E+4nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM25817(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)copy SMILEScopy InChI
Affinity DataKd:  8.60E+5nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetCytochrome P450 144(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)copy SMILEScopy InChI
Affinity DataKd:  1.74E+5nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)copy SMILEScopy InChI
Affinity DataKd:  3.02E+4nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetCytochrome P450 144(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM24656(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)copy SMILEScopy InChI
Affinity DataKd:  2.80E+5nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM24656(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)copy SMILEScopy InChI
Affinity DataKd:  2.16E+5nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM24656(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)copy SMILEScopy InChI
Affinity DataKd:  1.20E+4nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM92505(4-Cholesten-3-one | Steroid scaffold, 14)copy SMILEScopy InChI
Affinity DataKd:  1.20E+3nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM92505(4-Cholesten-3-one | Steroid scaffold, 14)copy SMILEScopy InChI
Affinity DataKd:  360nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM20192((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)copy SMILEScopy InChI
Affinity DataKd:  110nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM20192((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)copy SMILEScopy InChI
Affinity DataKd:  340nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetCytochrome P450 144 [31-434](Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM222346(CYP144A1 ligand, 1)copy SMILEScopy InChI
Affinity DataKd:  8.20E+4nMpH: 7.0Assay Description:Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1JF3PubMed
TargetCytochrome P450 144 [31-434](Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM222347(CYP144A1 ligand, 2)copy SMILEScopy InChI
Affinity DataKd:  2.00E+5nMpH: 7.0Assay Description:Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1JF3PubMed
TargetCytochrome P450 144 [31-434](Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM222348(CYP144A1 ligand, 3)copy SMILEScopy InChI
Affinity DataKd:  1.40E+5nMpH: 7.5 T: 2°CAssay Description:ITC binding isotherms were recorded on a MicroCal ITC200 instrument (MalvernInstruments). Titrations were conducted at 25 °C by injecting aliquots (2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1JF3PubMed
TargetCytochrome P450 144 [31-434](Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM24656(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)copy SMILEScopy InChI
Affinity DataKd:  2.98E+6nMpH: 7.0Assay Description:Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1JF3PubMed
TargetCytochrome P450 144 [31-434](Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM7886(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)copy SMILEScopy InChI
Affinity DataKd:  2.90E+5nMpH: 7.0Assay Description:Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1JF3PubMed
TargetCytochrome P450 144 [31-434](Mycobacterium tuberculosis)
University of Cambridge

LigandPNGBDBM222349(CYP144A1 ligand, 4)copy SMILEScopy InChI
Affinity DataKd:  2.30E+5nMpH: 7.0Assay Description:Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1JF3PubMed
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
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
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
LigandPNGBDBM50505724(CHEMBL4556539)copy SMILEScopy InChI
Affinity DataKd:  2.94E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1GPQPubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505725(CHEMBL4449188)copy SMILEScopy InChI
Affinity DataKd:  1.51E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505726(CHEBI:71610 | CHEMBL126124)copy SMILEScopy InChI
Affinity DataKd:  2.40E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1GPQPubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505727(CHEMBL4447064)copy SMILEScopy InChI
Affinity DataKd:  1.04E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505728(CHEMBL4537292)copy SMILEScopy InChI
Affinity DataKd:  6.30E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1GPQPubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505729(CHEMBL4467901)copy SMILEScopy InChI
Affinity DataKd:  450nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1GPQPubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505730(CHEMBL4592778)copy SMILEScopy InChI
Affinity DataKd:  9.10E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1GPQPubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505731(CHEMBL4475027)copy SMILEScopy InChI
Affinity DataKd:  1.28E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505732(CHEMBL4475712)copy SMILEScopy InChI
Affinity DataKd:  1.10E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505733(CHEMBL4457675)copy SMILEScopy InChI
Affinity DataKd:  3.98E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505734(CHEBI:65063 | CHEMBL189558 | Cyclo(-Trp-Tyr))copy SMILEScopy InChI
Affinity DataKd:  3.00E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505735(CHEMBL4437128)copy SMILEScopy InChI
Affinity DataKd:  720nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BK1GPQPubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505736(CHEMBL4545848)copy SMILEScopy InChI
Affinity DataKd:  1.50E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505737(CHEMBL4437078)copy SMILEScopy InChI
Affinity DataKd: >1.00E+5nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505738(CHEMBL4565125)copy SMILEScopy InChI
Affinity DataKd:  460nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50505739(CHEMBL4471315)copy SMILEScopy InChI
Affinity DataKd:  280nMAssay Description:Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)copy SMILEScopy InChI
Affinity DataKd:  2.10E+4nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)copy SMILEScopy InChI
Affinity DataKd:  2.71E+4nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251GR0PubMed
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