Found 33 hits with Last Name = 'dallmeier' and Initial = 'k' 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 3A4
(Homo sapiens (Human)) | BDBM50459192
(CHEMBL4205724)Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50459192
(CHEMBL4205724)Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50459192
(CHEMBL4205724)Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50459194
(CHEMBL4203293)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 Show InChI InChI=1S/C25H24N2O4/c1-30-19-13-18(14-20(15-19)31-12-11-28)27-24(17-7-3-2-4-8-17)25(29)22-16-26-23-10-6-5-9-21(22)23/h2-10,13-16,24,26-28H,11-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50459192
(CHEMBL4205724)Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50459192
(CHEMBL4205724)Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50459194
(CHEMBL4203293)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 Show InChI InChI=1S/C25H24N2O4/c1-30-19-13-18(14-20(15-19)31-12-11-28)27-24(17-7-3-2-4-8-17)25(29)22-16-26-23-10-6-5-9-21(22)23/h2-10,13-16,24,26-28H,11-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | 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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50459192
(CHEMBL4205724)Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
UniProtKB/SwissProt
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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50459194
(CHEMBL4203293)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 Show InChI InChI=1S/C25H24N2O4/c1-30-19-13-18(14-20(15-19)31-12-11-28)27-24(17-7-3-2-4-8-17)25(29)22-16-26-23-10-6-5-9-21(22)23/h2-10,13-16,24,26-28H,11-12H2,1H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50459194
(CHEMBL4203293)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 Show InChI InChI=1S/C25H24N2O4/c1-30-19-13-18(14-20(15-19)31-12-11-28)27-24(17-7-3-2-4-8-17)25(29)22-16-26-23-10-6-5-9-21(22)23/h2-10,13-16,24,26-28H,11-12H2,1H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50459194
(CHEMBL4203293)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 Show InChI InChI=1S/C25H24N2O4/c1-30-19-13-18(14-20(15-19)31-12-11-28)27-24(17-7-3-2-4-8-17)25(29)22-16-26-23-10-6-5-9-21(22)23/h2-10,13-16,24,26-28H,11-12H2,1H3 | PDB
UniProtKB/SwissProt
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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50459193
(CHEMBL4212403)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 Show InChI InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50459194
(CHEMBL4203293)Show SMILES COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 Show InChI InChI=1S/C25H24N2O4/c1-30-19-13-18(14-20(15-19)31-12-11-28)27-24(17-7-3-2-4-8-17)25(29)22-16-26-23-10-6-5-9-21(22)23/h2-10,13-16,24,26-28H,11-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
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