Found 7 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 |
|---|
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Partial agonist activity at human muscarinic M4 acetylcholine receptor expressed in CHO cells co-expressing Galpha16 assessed as calcium mobilization... |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
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