Found 14 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 |
|---|
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50335377
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human FAAH N-terminal transmembrane-deleted truncated form expressed in Escherichia coli preincubated for 60 mins before ole... |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50335377
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Irreversible inhibition of His-tagged rat FAAH N-terminal transmembrane-deleted truncated form expressed in Escherichia coli preincubated for 60 mins... |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335380
(CHEMBL1651525 | N-Pyridin-3-yl-4-(3-{[5-(trifluoro...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnc3)c2)nc1 Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,13-16H,8-9,11-12H2,(H,30,32) | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 uisng testosterone substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335380
(CHEMBL1651525 | N-Pyridin-3-yl-4-(3-{[5-(trifluoro...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnc3)c2)nc1 Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,13-16H,8-9,11-12H2,(H,30,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335379
(CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...)Show SMILES [#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335379
(CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...)Show SMILES [#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33) | PDB
MMDB
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 uisng testosterone substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335380
(CHEMBL1651525 | N-Pyridin-3-yl-4-(3-{[5-(trifluoro...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnc3)c2)nc1 Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,13-16H,8-9,11-12H2,(H,30,32) | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 uisng midazolam substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335379
(CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...)Show SMILES [#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33) | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 uisng midazolam substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335377
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335378
(CHEMBL1651533 | N-Pyrazin-2-yl-4-(3-{[5-(trifluoro...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cnccn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-4-5-21(29-14-18)33-19-3-1-2-17(13-19)12-16-6-10-31(11-7-16)22(32)30-20-15-27-8-9-28-20/h1-5,8-9,12-15H,6-7,10-11H2,(H,28,30,32) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 uisng testosterone substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335378
(CHEMBL1651533 | N-Pyrazin-2-yl-4-(3-{[5-(trifluoro...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cnccn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-4-5-21(29-14-18)33-19-3-1-2-17(13-19)12-16-6-10-31(11-7-16)22(32)30-20-15-27-8-9-28-20/h1-5,8-9,12-15H,6-7,10-11H2,(H,28,30,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335377
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32) | PDB
MMDB
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CHEMBL
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PC cid
PC sid
UniChem
| 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 uisng testosterone substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335378
(CHEMBL1651533 | N-Pyrazin-2-yl-4-(3-{[5-(trifluoro...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cnccn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-4-5-21(29-14-18)33-19-3-1-2-17(13-19)12-16-6-10-31(11-7-16)22(32)30-20-15-27-8-9-28-20/h1-5,8-9,12-15H,6-7,10-11H2,(H,28,30,32) | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 uisng midazolam substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335377
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32) | PDB
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UniChem
| 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 uisng midazolam substrate |
ACS Med Chem Lett 2: 91-96 (2011)
Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM |
More data for this
Ligand-Target Pair | |
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