Found 40 hits with Last Name = 'moggs' and Initial = 'j' 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 2D6
(Homo sapiens (Human)) | BDBM291729
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C19H15FN6O/c20-16-3-4-17-13(5-7-27-17)15(16)10-23-19-22-9-14(12-2-1-6-21-8-12)18-25-24-11-26(18)19/h1-4,6,8-9,11H,5,7,10H2,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM291701
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM291702
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-2-14(15-6-9-26-17(15)3-1)10-21-19-22-11-16(13-4-7-20-8-5-13)18-24-23-12-25(18)19/h1-5,7-8,11-12H,6,9-10H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM291702
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-2-14(15-6-9-26-17(15)3-1)10-21-19-22-11-16(13-4-7-20-8-5-13)18-24-23-12-25(18)19/h1-5,7-8,11-12H,6,9-10H2,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50604673
(CHEMBL5197950) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM291701
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM291701
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
KEGG
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM291742
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show SMILES Cc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H17FN6O/c1-12-2-3-13(8-22-12)15-9-23-20(27-11-25-26-19(15)27)24-10-16-14-6-7-28-18(14)5-4-17(16)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50604672
(CHEMBL5178464)Show SMILES COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50604672
(CHEMBL5178464)Show SMILES COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM291702
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-2-14(15-6-9-26-17(15)3-1)10-21-19-22-11-16(13-4-7-20-8-5-13)18-24-23-12-25(18)19/h1-5,7-8,11-12H,6,9-10H2,(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM291701
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM225230
(EED226 | US11013745, Compound EED226)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM225230
(EED226 | US11013745, Compound EED226)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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UniChem
| Article
PubMed
| n/a | n/a | >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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PC cid
PC sid
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UniChem
| Article
PubMed
| n/a | n/a | >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A5
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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UniChem
| Article
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| n/a | n/a | >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
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PC sid
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UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50604672
(CHEMBL5178464)Show SMILES COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50604672
(CHEMBL5178464)Show SMILES COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50604672
(CHEMBL5178464)Show SMILES COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM225230
(EED226 | US11013745, Compound EED226)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | PDB
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UniChem
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50604674
(CHEMBL5186280)Show SMILES COc1cccc(F)c1CNc1ccc(-c2ccc(C)nc2C)c2nncn12 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM291701
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22) | PDB
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| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM291702
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-2-14(15-6-9-26-17(15)3-1)10-21-19-22-11-16(13-4-7-20-8-5-13)18-24-23-12-25(18)19/h1-5,7-8,11-12H,6,9-10H2,(H,21,22) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM291852
(8-(2,6-dimethylpyridin-3-yl)-N-((5-fluoro-2,3-dihy...)Show SMILES Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H19FN6O/c1-12-3-4-14(13(2)26-12)17-10-24-21(28-11-25-27-20(17)28)23-9-16-15-7-8-29-19(15)6-5-18(16)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24) | PDB
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| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM291702
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(pyridin-...)Show InChI InChI=1S/C19H16N6O/c1-2-14(15-6-9-26-17(15)3-1)10-21-19-22-11-16(13-4-7-20-8-5-13)18-24-23-12-25(18)19/h1-5,7-8,11-12H,6,9-10H2,(H,21,22) | PDB
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| PC cid
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UniChem
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50604675
(CHEMBL5202848) | PDB
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UniChem
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM225230
(EED226 | US11013745, Compound EED226)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM225230
(EED226 | US11013745, Compound EED226)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM225230
(EED226 | US11013745, Compound EED226)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02148
BindingDB Entry DOI: 10.7270/Q2Z323QR |
More data for this
Ligand-Target Pair | |
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