Found 1017 hits with Last Name = 'chaudhuri' and Initial = 'b' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50452361
(CHEMBL4218749)Show InChI InChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h2,4,8-9,11,13,15H,1,3,5-7H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Competitive inhibition of human CYP1A1 using 7-ethoxyresorufin as substrate |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50239038
(CHEMBL4074105)Show InChI InChI=1S/C17H12N2O2/c1-2-11-21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h1,3-10H,11H2,(H,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50188337
(CHEMBL2058057)Show InChI InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236947
(CHEMBL4092737)Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in HEK293 cells using CEC as substrate preincubated for 30 mins followed by substrate addition measured af... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236955
(CHEMBL4059677)Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in HEK293 cells using CEC as substrate preincubated for 30 mins followed by substrate addition measured af... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50239037
(CHEMBL4100866)Show SMILES Clc1ccc(Oc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c(Cl)c1 Show InChI InChI=1S/C20H12Cl2N2O2/c21-13-7-10-18(16(22)11-13)26-14-8-5-12(6-9-14)19-23-17-4-2-1-3-15(17)20(25)24-19/h1-11H,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5[alpha] using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate in pres... |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Effective concentration required against wild type HIV-1 reverse transcriptase |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236947
(CHEMBL4092737)Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate additi... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 cells using 7-ethoxyresorufin as substrate after 10 mins by fluorescence a... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7501
(4-{(Z)-[4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3...)Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H22N2O6S/c1-23-8-6-13(7-9-23)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)30(22,27)28/h2-5,10-11,13,24-25H,6-9H2,1H3,(H2,22,27,28)/b17-10- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Novartis Pharmaceuticals
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence ATP/ [gamma-32P] ATP. 32P incorpo... |
J Med Chem 45: 1741-7 (2002)
Article DOI: 10.1021/jm0108348 BindingDB Entry DOI: 10.7270/Q2707ZNJ |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236947
(CHEMBL4092737)Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Effective concentration required against L100I mutant HIV-1 reverse transcriptase |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate measured after 10 mins by fluorescence assay |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A1 expressed in yeast microsomal membranes by fluorescence assay |
Bioorg Med Chem Lett 27: 5400-5403 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236955
(CHEMBL4059677)Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assa... |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK.
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A1 bound to yeast microsomal membrane using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay |
Bioorg Med Chem Lett 27: 3683-3687 (2017)
Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in supersomes (unknown origin) |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF a... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50237133
(CHEMBL4072091)Show InChI InChI=1S/C15H13NO2/c1-18-15-7-3-2-5-12(15)8-9-14(17)13-6-4-10-16-11-13/h2-11H,1H3/b9-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236946
(CHEMBL4063333)Show InChI InChI=1S/C18H13NO/c20-18(10-7-14-4-3-11-19-13-14)17-9-8-15-5-1-2-6-16(15)12-17/h1-13H/b10-7+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A1 in supersomes (unknown origin) |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236951
(CHEMBL4063471)Show InChI InChI=1S/C16H15NO3/c1-19-15-8-6-12(10-16(15)20-2)5-7-14(18)13-4-3-9-17-11-13/h3-11H,1-2H3/b7-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50452363
(CHEMBL4212722)Show InChI InChI=1S/C14H20NO/c1-15-9-3-5-11-10-4-2-6-14(16)12(10)7-8-13(11)15/h3,5,9-10,12,14,16H,2,4,6-8H2,1H3/q+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by subst... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50548258
(LANCEOLATIN B) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP1A1 expressed in human HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate addito... |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.11.013 BindingDB Entry DOI: 10.7270/Q20V8HDV |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50548260
(Pongapin) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP1A1 expressed in human HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate addito... |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.11.013 BindingDB Entry DOI: 10.7270/Q20V8HDV |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50452363
(CHEMBL4212722)Show InChI InChI=1S/C14H20NO/c1-15-9-3-5-11-10-4-2-6-14(16)12(10)7-8-13(11)15/h3,5,9-10,12,14,16H,2,4,6-8H2,1H3/q+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50452355
(CHEMBL2237710)Show InChI InChI=1S/C13H17NO/c15-10-5-3-9-4-6-13-11(12(9)8-10)2-1-7-14-13/h1-2,7,9-10,12,15H,3-6,8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate ad... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50237132
(CHEMBL4071959)Show InChI InChI=1S/C18H13NO/c20-18(11-10-14-5-4-12-19-13-14)17-9-3-7-15-6-1-2-8-16(15)17/h1-13H/b11-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50188337
(CHEMBL2058057)Show InChI InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substr... |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM42528
((E)-3-(1-naphthalenyl)-1-pyridin-4-yl-2-propen-1-o...)Show InChI InChI=1S/C18H13NO/c20-18(16-10-12-19-13-11-16)9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-13H/b9-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by subst... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50452356
(CHEMBL4214111)Show InChI InChI=1S/C16H24NO/c1-2-10-17-11-4-6-13-14(17)9-8-12-5-3-7-15(18)16(12)13/h4,6,11-12,15-16,18H,2-3,5,7-10H2,1H3/q+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by subst... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50452356
(CHEMBL4214111)Show InChI InChI=1S/C16H24NO/c1-2-10-17-11-4-6-13-14(17)9-8-12-5-3-7-15(18)16(12)13/h4,6,11-12,15-16,18H,2-3,5,7-10H2,1H3/q+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236949
(CHEMBL1413330)Show InChI InChI=1S/C15H11NO3/c17-13(12-2-1-7-16-9-12)5-3-11-4-6-14-15(8-11)19-10-18-14/h1-9H,10H2/b5-3+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50548261
(Karanjin) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP1A1 expressed in human HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate addito... |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.11.013 BindingDB Entry DOI: 10.7270/Q20V8HDV |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin/7-ethoxy-methyloxy-3-cyanocoumari... |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50548261
(Karanjin) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP1B1 expressed in human HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate addito... |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.11.013 BindingDB Entry DOI: 10.7270/Q20V8HDV |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK.
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assay |
Bioorg Med Chem Lett 27: 3683-3687 (2017)
Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description In vitro inhibition of TNF-alpha converting enzyme. |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7501
(4-{(Z)-[4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3...)Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H22N2O6S/c1-23-8-6-13(7-9-23)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)30(22,27)28/h2-5,10-11,13,24-25H,6-9H2,1H3,(H2,22,27,28)/b17-10- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Novartis Pharmaceuticals
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3... |
J Med Chem 45: 1741-7 (2002)
Article DOI: 10.1021/jm0108348 BindingDB Entry DOI: 10.7270/Q2707ZNJ |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in yeast microsomal membranes by fluorescence assay |
Bioorg Med Chem Lett 27: 5400-5403 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50239035
(CHEMBL4081914)Show InChI InChI=1S/C15H12N2O3/c1-20-13-8-9(6-7-12(13)18)14-16-11-5-3-2-4-10(11)15(19)17-14/h2-8,18H,1H3,(H,16,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substr... |
Eur J Med Chem 130: 320-327 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JQ139G |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50236952
(CHEMBL2237709)Show InChI InChI=1S/C17H17NO4/c1-20-15-9-7-12(16(21-2)17(15)22-3)6-8-14(19)13-5-4-10-18-11-13/h4-11H,1-3H3/b8-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by... |
Eur J Med Chem 129: 159-174 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.016 BindingDB Entry DOI: 10.7270/Q26T0PX4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50452356
(CHEMBL4214111)Show InChI InChI=1S/C16H24NO/c1-2-10-17-11-4-6-13-14(17)9-8-12-5-3-7-15(18)16(12)13/h4,6,11-12,15-16,18H,2-3,5,7-10H2,1H3/q+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate ad... |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50452355
(CHEMBL2237710)Show InChI InChI=1S/C13H17NO/c15-10-5-3-9-4-6-13-11(12(9)8-10)2-1-7-14-13/h1-2,7,9-10,12,15H,3-6,8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate measured after 10 mins by fluorescence assay |
Bioorg Med Chem Lett 27: 5409-5414 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT |
More data for this Ligand-Target Pair | |