Found 4 hits with Last Name = 'metzger' 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50520671
(CHEMBL4459971)Show SMILES CCc1nc(C)cn2nc(cc12)-c1cc(=O)n2cc(cc(C)c2n1)C1CCN(C)CC1 Show InChI InChI=1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3 | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG at 37 degC |
J Med Chem 61: 6501-6517 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00741
BindingDB Entry DOI: 10.7270/Q24171F3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50266625
(CHEMBL4081789)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cn2cc(C)nc(C)c2n1 Show InChI InChI=1S/C20H24N6O/c1-14-12-26-13-18(22-19(26)15(2)21-14)23-20(27)16-4-6-17(7-5-16)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11H2,1-3H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 60: 4444-4457 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00406
BindingDB Entry DOI: 10.7270/Q2N300FC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50266625
(CHEMBL4081789)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cn2cc(C)nc(C)c2n1 Show InChI InChI=1S/C20H24N6O/c1-14-12-26-13-18(22-19(26)15(2)21-14)23-20(27)16-4-6-17(7-5-16)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11H2,1-3H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 60: 4444-4457 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00406
BindingDB Entry DOI: 10.7270/Q2N300FC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50266625
(CHEMBL4081789)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cn2cc(C)nc(C)c2n1 Show InChI InChI=1S/C20H24N6O/c1-14-12-26-13-18(22-19(26)15(2)21-14)23-20(27)16-4-6-17(7-5-16)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11H2,1-3H3,(H,23,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 60: 4444-4457 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00406
BindingDB Entry DOI: 10.7270/Q2N300FC |
More data for this
Ligand-Target Pair | |
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