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)) | BDBM50331714
(3-{[(2S)-2-(Aminocarbonyl)pyrrolidin-1-yl]methyl}-...)Show SMILES CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 7429-34 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.022
BindingDB Entry DOI: 10.7270/Q2ZG6SHN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50331714
(3-{[(2S)-2-(Aminocarbonyl)pyrrolidin-1-yl]methyl}-...)Show SMILES CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 7429-34 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.022
BindingDB Entry DOI: 10.7270/Q2ZG6SHN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50331714
(3-{[(2S)-2-(Aminocarbonyl)pyrrolidin-1-yl]methyl}-...)Show SMILES CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 7429-34 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.022
BindingDB Entry DOI: 10.7270/Q2ZG6SHN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50331714
(3-{[(2S)-2-(Aminocarbonyl)pyrrolidin-1-yl]methyl}-...)Show SMILES CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 7429-34 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.022
BindingDB Entry DOI: 10.7270/Q2ZG6SHN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50331714
(3-{[(2S)-2-(Aminocarbonyl)pyrrolidin-1-yl]methyl}-...)Show SMILES CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 7429-34 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.022
BindingDB Entry DOI: 10.7270/Q2ZG6SHN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50331714
(3-{[(2S)-2-(Aminocarbonyl)pyrrolidin-1-yl]methyl}-...)Show SMILES CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 |
Bioorg Med Chem Lett 20: 7429-34 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.022
BindingDB Entry DOI: 10.7270/Q2ZG6SHN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50331714
(3-{[(2S)-2-(Aminocarbonyl)pyrrolidin-1-yl]methyl}-...)Show SMILES CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 7429-34 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.022
BindingDB Entry DOI: 10.7270/Q2ZG6SHN |
More data for this
Ligand-Target Pair | |
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