Found 28 hits of Enzyme Inhibition Constant Data 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 |
|---|
Histamine receptor H3
(Macaca mulatta (Rhesus macaque)) | BDBM50437067
(CHEMBL2403550)Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50437067
(CHEMBL2403550)Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Histamine receptor H3
(Macaca mulatta (Rhesus macaque)) | BDBM50437068
(CHEMBL2403549)Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50437068
(CHEMBL2403549)Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50437066
(CHEMBL2403551)Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50437069
(CHEMBL2403548)Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Histamine receptor H3
(Macaca mulatta (Rhesus macaque)) | BDBM50437069
(CHEMBL2403548)Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Histamine receptor H3
(Macaca mulatta (Rhesus macaque)) | BDBM50437066
(CHEMBL2403551)Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin... |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437069
(CHEMBL2403548)Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50437066
(CHEMBL2403551)Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437069
(CHEMBL2403548)Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50437069
(CHEMBL2403548)Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437068
(CHEMBL2403549)Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437066
(CHEMBL2403551)Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50437067
(CHEMBL2403550)Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437068
(CHEMBL2403549)Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437066
(CHEMBL2403551)Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437068
(CHEMBL2403549)Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50437068
(CHEMBL2403549)Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437067
(CHEMBL2403550)Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437069
(CHEMBL2403548)Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437068
(CHEMBL2403549)Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437067
(CHEMBL2403550)Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437066
(CHEMBL2403551)Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437066
(CHEMBL2403551)Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437069
(CHEMBL2403548)Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437067
(CHEMBL2403550)Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437067
(CHEMBL2403550)Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r| Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 4044-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0 |
More data for this
Ligand-Target Pair | |
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