Found 17 hits with Last Name = 'karimi-busheri' and Initial = 'f' 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 |
|---|
DNA repair endonuclease XPF
(Homo sapiens) | BDBM50504115
(CHEMBL4470176)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged ERCC1-XPF endonuclease activity expressed in Escherichia coli BL21 (DE3) using [6-FAM-5'-CAGCGCTCGG(20T)CCGAGCGCTG-3'... |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
DNA repair endonuclease XPF
(Homo sapiens) | BDBM50555906
(CHEMBL4759590)Show SMILES CN(C)CCN1CCN(Cc2cc(Nc3c4ccc(Cl)cc4nc4ccc(O)cc34)ccc2O)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells using 6-FAM-5'CAGCGCTCGG(20T)CCGAGCGCTG-3'-dabcyl measu... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112658
BindingDB Entry DOI: 10.7270/Q2BR8WTV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50504115
(CHEMBL4470176)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50504115
(CHEMBL4470176)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50504115
(CHEMBL4470176)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50504115
(CHEMBL4470176)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
DNA repair endonuclease XPF
(Homo sapiens) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged ERCC1-XPF endonuclease activity expressed in Escherichia coli BL21 (DE3) using [6-FAM-5'-CAGCGCTCGG(20T)CCGAGCGCTG-3'... |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
DNA repair endonuclease XPF
(Homo sapiens) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells using 6-FAM-5'CAGCGCTCGG(20T)CCGAGCGCTG-3'-dabcyl measu... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112658
BindingDB Entry DOI: 10.7270/Q2BR8WTV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50504115
(CHEMBL4470176)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
DNA repair endonuclease XPF
(Homo sapiens) | BDBM81244
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(...)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 Show InChI InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells by steady-state fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112658
BindingDB Entry DOI: 10.7270/Q2BR8WTV |
More data for this
Ligand-Target Pair | |
DNA repair endonuclease XPF
(Homo sapiens) | BDBM50555906
(CHEMBL4759590)Show SMILES CN(C)CCN1CCN(Cc2cc(Nc3c4ccc(Cl)cc4nc4ccc(O)cc34)ccc2O)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells by steady-state fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112658
BindingDB Entry DOI: 10.7270/Q2BR8WTV |
More data for this
Ligand-Target Pair | |
DNA excision repair protein ERCC-1/repair endonuclease XPF
(Homo sapiens) | BDBM50504115
(CHEMBL4470176)Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Binding affinity to human His6-tagged ERCC1-XPF expressed in Escherichia coli BL21 (DE3) by spectrofluorimetric method |
J Med Chem 62: 7684-7696 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00326
BindingDB Entry DOI: 10.7270/Q2FX7DRF |
More data for this
Ligand-Target Pair | |
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