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 |
|---|
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106720
(CHEMBL3600880)Show SMILES CC(C)C[C@@H](CO)NCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C23H36N2O2/c1-17(2)14-20(16-26)24-15-22(27)25-13-12-18-8-6-7-11-21(18)23(25)19-9-4-3-5-10-19/h6-8,11,17,19-20,23-24,26H,3-5,9-10,12-16H2,1-2H3/t20-,23?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106719
(CHEMBL3600879)Show SMILES CC(C)(C)[C@@H](CO)NCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C23H36N2O2/c1-23(2,3)20(16-26)24-15-21(27)25-14-13-17-9-7-8-12-19(17)22(25)18-10-5-4-6-11-18/h7-9,12,18,20,22,24,26H,4-6,10-11,13-16H2,1-3H3/t20-,22?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106714
(CHEMBL3600876)Show SMILES CC[C@H](O)CNCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C21H32N2O2/c1-2-18(24)14-22-15-20(25)23-13-12-16-8-6-7-11-19(16)21(23)17-9-4-3-5-10-17/h6-8,11,17-18,21-22,24H,2-5,9-10,12-15H2,1H3/t18-,21?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <300 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106722
(CHEMBL3600882)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2c(F)cccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C20H29FN2O2/c1-14(24)12-22-13-19(25)23-11-10-16-17(8-5-9-18(16)21)20(23)15-6-3-2-4-7-15/h5,8-9,14-15,20,22,24H,2-4,6-7,10-13H2,1H3/t14-,20?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <390 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50095969
(CHEMBL3593436)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)CCCCC1 |r| Show InChI InChI=1S/C16H17N5O5/c17-13-10-14(20-16(19-13)25-8-4-2-1-3-5-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-5,7,9,11-12,15,22-24H,6H2,(H2,17,19,20)/t9-,11+,12+,15?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <390 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50037212
(CHEMBL3356251)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r| Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50037209
(CHEMBL3356247)Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106725
(CHEMBL3601142)Show SMILES COc1ccc2C(C3CCCCC3)N(CCc2c1)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H32N2O3/c1-15(24)13-22-14-20(25)23-11-10-17-12-18(26-2)8-9-19(17)21(23)16-6-4-3-5-7-16/h8-9,12,15-16,21-22,24H,3-7,10-11,13-14H2,1-2H3/t15-,21?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106723
(CHEMBL3601139)Show SMILES COc1cccc2C(C3CCCCC3)N(CCc12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H32N2O3/c1-15(24)13-22-14-20(25)23-12-11-17-18(9-6-10-19(17)26-2)21(23)16-7-4-3-5-8-16/h6,9-10,15-16,21-22,24H,3-5,7-8,11-14H2,1-2H3/t15-,21?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106713
(CHEMBL3600875)Show SMILES CC[C@@H](O)CNCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C21H32N2O2/c1-2-18(24)14-22-15-20(25)23-13-12-16-8-6-7-11-19(16)21(23)17-9-4-3-5-10-17/h6-8,11,17-18,21-22,24H,2-5,9-10,12-15H2,1H3/t18-,21?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106715
(CHEMBL3600877)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C20H30N2O2/c1-15(23)13-21-14-19(24)22-12-11-16-7-5-6-10-18(16)20(22)17-8-3-2-4-9-17/h5-7,10,15,17,20-21,23H,2-4,8-9,11-14H2,1H3/t15-,20?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106734
(CHEMBL3601154)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2cccc(F)c2C1c1ccccc1 |r| Show InChI InChI=1S/C20H23FN2O2/c1-14(24)12-22-13-18(25)23-11-10-15-8-5-9-17(21)19(15)20(23)16-6-3-2-4-7-16/h2-9,14,20,22,24H,10-13H2,1H3/t14-,20?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106726
(CHEMBL3601145)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2ccc(F)cc2C1C1CCCCC1 |r| Show InChI InChI=1S/C20H29FN2O2/c1-14(24)12-22-13-19(25)23-10-9-15-7-8-17(21)11-18(15)20(23)16-5-3-2-4-6-16/h7-8,11,14,16,20,22,24H,2-6,9-10,12-13H2,1H3/t14-,20?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106727
(CHEMBL3601147)Show SMILES CCc1ccc2CCN(C(C3CCCCC3)c2c1)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C22H34N2O2/c1-3-17-9-10-18-11-12-24(21(26)15-23-14-16(2)25)22(20(18)13-17)19-7-5-4-6-8-19/h9-10,13,16,19,22-23,25H,3-8,11-12,14-15H2,1-2H3/t16-,22?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106721
(CHEMBL3600881)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2ccccc2[C@@H]1C1CCCCC1 |r| Show InChI InChI=1S/C20H30N2O2/c1-15(23)13-21-14-19(24)22-12-11-16-7-5-6-10-18(16)20(22)17-8-3-2-4-9-17/h5-7,10,15,17,20-21,23H,2-4,8-9,11-14H2,1H3/t15-,20+/m1/s1 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106724
(CHEMBL3601140)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2cc(F)ccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C20H29FN2O2/c1-14(24)12-22-13-19(25)23-10-9-16-11-17(21)7-8-18(16)20(23)15-5-3-2-4-6-15/h7-8,11,14-15,20,22,24H,2-6,9-10,12-13H2,1H3/t14-,20?/m1/s1 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106718
(CHEMBL3600878)Show SMILES C[C@H](O)CNCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r| Show InChI InChI=1S/C20H30N2O2/c1-15(23)13-21-14-19(24)22-12-11-16-7-5-6-10-18(16)20(22)17-8-3-2-4-9-17/h5-7,10,15,17,20-21,23H,2-4,8-9,11-14H2,1H3/t15-,20?/m0/s1 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106728
(CHEMBL3601148)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2ccc(cc2C1C1CCCCC1)C(C)C |r| Show InChI InChI=1S/C23H36N2O2/c1-16(2)20-10-9-18-11-12-25(22(27)15-24-14-17(3)26)23(21(18)13-20)19-7-5-4-6-8-19/h9-10,13,16-17,19,23-24,26H,4-8,11-12,14-15H2,1-3H3/t17-,23?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106732
(CHEMBL3601153)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O2/c1-15(23)13-21-14-19(24)22-12-11-16-7-5-6-10-18(16)20(22)17-8-3-2-4-9-17/h2-10,15,20-21,23H,11-14H2,1H3/t15-,20+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106729
(CHEMBL3601149)Show SMILES COc1ccc2CCN(C(C3CCCCC3)c2c1)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H32N2O3/c1-15(24)13-22-14-20(25)23-11-10-16-8-9-18(26-2)12-19(16)21(23)17-6-4-3-5-7-17/h8-9,12,15,17,21-22,24H,3-7,10-11,13-14H2,1-2H3/t15-,21?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106736
(CHEMBL3601259)Show SMILES C[C@@H](O)CNCC(=O)N1CCc2cccc(C)c2C1c1ccccc1 |r| Show InChI InChI=1S/C21H26N2O2/c1-15-7-6-10-17-11-12-23(19(25)14-22-13-16(2)24)21(20(15)17)18-8-4-3-5-9-18/h3-10,16,21-22,24H,11-14H2,1-2H3/t16-,21?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106750
(CHEMBL3601261)Show SMILES COc1cccc2CCN([C@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H26N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h3-10,15,21-22,24H,11-14H2,1-2H3/t15-,21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106730
(CHEMBL3601152)Show SMILES COc1cccc2CCN(C(C3CCCCC3)c12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H32N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h6,9-10,15,17,21-22,24H,3-5,7-8,11-14H2,1-2H3/t15-,21?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50106739
(CHEMBL3601260)Show SMILES COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H26N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h3-10,15,21-22,24H,11-14H2,1-2H3/t15-,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 | >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 CYP2C9 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50106739
(CHEMBL3601260)Show SMILES COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H26N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h3-10,15,21-22,24H,11-14H2,1-2H3/t15-,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 | >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 CYP1A2 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50106739
(CHEMBL3601260)Show SMILES COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H26N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h3-10,15,21-22,24H,11-14H2,1-2H3/t15-,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 | >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 CYP2C19 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50106739
(CHEMBL3601260)Show SMILES COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H26N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h3-10,15,21-22,24H,11-14H2,1-2H3/t15-,21+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 (unknown origin) by fluorescence-based assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50106739
(CHEMBL3601260)Show SMILES COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r| Show InChI InChI=1S/C21H26N2O3/c1-15(24)13-22-14-19(25)23-12-11-16-9-6-10-18(26-2)20(16)21(23)17-7-4-3-5-8-17/h3-10,15,21-22,24H,11-14H2,1-2H3/t15-,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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by Rb efflux assay |
Bioorg Med Chem 23: 4638-48 (2015)
Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ |
More data for this
Ligand-Target Pair | |
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