Found 19 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 2D6
(Homo sapiens (Human)) | BDBM50356025
(CHEMBL1911522)Show InChI InChI=1S/C21H23NO3/c1-3-4-12-24-16-8-7-9-17(13-16)25-14-20-15(2)21(23)18-10-5-6-11-19(18)22-20/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356029
(CHEMBL1911517)Show InChI InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356019
(CHEMBL1911523)Show InChI InChI=1S/C21H20F3NO3/c1-14-19(25-18-9-3-2-8-17(18)20(14)26)13-28-16-7-4-6-15(12-16)27-11-5-10-21(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356031
(CHEMBL1911535)Show SMILES Cc1c(COc2cccc(OCC3CCOCC3)c2)nc2ccc(cc2c1O)-c1cccnc1 Show InChI InChI=1S/C28H28N2O4/c1-19-27(18-34-24-6-2-5-23(15-24)33-17-20-9-12-32-13-10-20)30-26-8-7-21(14-25(26)28(19)31)22-4-3-11-29-16-22/h2-8,11,14-16,20H,9-10,12-13,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356020
(CHEMBL1911524)Show InChI InChI=1S/C23H27NO4/c1-16-21(24-20-11-6-5-10-19(20)22(16)25)15-28-18-9-7-8-17(14-18)27-13-12-23(2,3)26-4/h5-11,14H,12-13,15H2,1-4H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356024
(CHEMBL1911541)Show InChI InChI=1S/C22H24N2O4/c1-15-19(23-18-6-3-2-5-17(18)22(15)25)14-28-21-8-4-7-20(24-21)27-13-16-9-11-26-12-10-16/h2-8,16H,9-14H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356030
(CHEMBL1911525)Show InChI InChI=1S/C23H25NO4/c1-16-22(24-21-8-3-2-7-20(21)23(16)25)15-28-19-6-4-5-18(13-19)27-14-17-9-11-26-12-10-17/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356034
(CHEMBL1911528)Show SMILES CC(C)c1c(COc2cccc(OCC3CCOCC3)c2)nc2ccccc2c1O Show InChI InChI=1S/C25H29NO4/c1-17(2)24-23(26-22-9-4-3-8-21(22)25(24)27)16-30-20-7-5-6-19(14-20)29-15-18-10-12-28-13-11-18/h3-9,14,17-18H,10-13,15-16H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356018
(CHEMBL1911538)Show InChI InChI=1S/C21H24N2O4/c1-14-18(23-17-7-5-4-6-16(17)20(14)24)13-27-19-12-15(8-10-22-19)26-11-9-21(2,3)25/h4-8,10,12,25H,9,11,13H2,1-3H3,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356021
(CHEMBL1911531)Show SMILES Cc1c(COc2cccc(OCC3CCOCC3)c2)nc2ccc(F)cc2c1O Show InChI InChI=1S/C23H24FNO4/c1-15-22(25-21-6-5-17(24)11-20(21)23(15)26)14-29-19-4-2-3-18(12-19)28-13-16-7-9-27-10-8-16/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356027
(CHEMBL1911530)Show SMILES COc1ccc2nc(COc3cccc(OCC4CCOCC4)c3)c(C)c(O)c2c1 Show InChI InChI=1S/C24H27NO5/c1-16-23(25-22-7-6-18(27-2)13-21(22)24(16)26)15-30-20-5-3-4-19(12-20)29-14-17-8-10-28-11-9-17/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356023
(CHEMBL1911539)Show InChI InChI=1S/C22H24N2O4/c1-15-21(24-20-5-3-2-4-19(20)22(15)25)14-28-18-10-17(11-23-12-18)27-13-16-6-8-26-9-7-16/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356022
(CHEMBL1911537)Show InChI InChI=1S/C22H24N2O4/c1-15-20(24-19-5-3-2-4-18(19)22(15)25)14-28-21-12-17(6-9-23-21)27-13-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356017
(CHEMBL1911540)Show InChI InChI=1S/C21H24N2O4/c1-14-19(23-18-7-5-4-6-17(18)20(14)24)13-27-16-10-15(11-22-12-16)26-9-8-21(2,3)25/h4-7,10-12,25H,8-9,13H2,1-3H3,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356033
(CHEMBL1911526)Show InChI InChI=1S/C22H23NO4/c24-22-12-17(23-21-7-2-1-6-20(21)22)15-27-19-5-3-4-18(13-19)26-14-16-8-10-25-11-9-16/h1-7,12-13,16H,8-11,14-15H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356026
(CHEMBL1911520)Show InChI InChI=1S/C20H27NO4/c1-15-18(21-17-8-4-3-7-16(17)19(15)22)11-23-9-5-6-10-24-12-20(2)13-25-14-20/h3-4,7-8H,5-6,9-14H2,1-2H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356035
(CHEMBL1911536)Show InChI InChI=1S/C22H24N2O4/c1-15-20(24-19-5-3-2-4-18(19)22(15)25)14-27-17-6-9-23-21(12-17)28-13-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356032
(CHEMBL1911519)Show InChI InChI=1S/C17H23NO3/c1-13-15(8-5-6-10-21-12-11-20-2)18-16-9-4-3-7-14(16)17(13)19/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50356028
(CHEMBL1911521)Show InChI InChI=1S/C15H19NO3/c1-11-14(10-19-9-5-4-8-17)16-13-7-3-2-6-12(13)15(11)18/h2-3,6-7,17H,4-5,8-10H2,1H3,(H,16,18) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6861-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1 |
More data for this
Ligand-Target Pair | |
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