Found 54 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)) | BDBM50117922
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r| Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1 | PDB
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PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428603
(CHEMBL2338405)Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C19H29Cl2N5O2/c1-19(2,3)24-18(28)22-4-5-25-6-8-26(9-7-25)13-17(27)23-16-11-14(20)10-15(21)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,27)(H2,22,24,28) | UniProtKB/SwissProt
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| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428599
(CHEMBL2338409)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-5-7-25-6-4-13(12-25)11-23-17(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27) | UniProtKB/SwissProt
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UniChem
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428602
(CHEMBL2338406)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-9-26-7-4-14(5-8-26)13-24-18(27)15-10-16(21)12-17(22)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28) | UniProtKB/SwissProt
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428601
(CHEMBL2338407)Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-8-26-7-4-5-14(13-26)12-24-18(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,24,27)(H2,23,25,28) | UniProtKB/SwissProt
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428604
(CHEMBL2338400)Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C23H41N5O2/c1-22(2,3)26-21(30)24-4-5-27-6-8-28(9-7-27)16-20(29)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,25,29)(H2,24,26,30) | UniProtKB/SwissProt
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| Article
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428596
(CHEMBL2337979)Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-6-8-25-7-4-5-16(12-25)23-17(26)13-9-14(20)11-15(21)10-13/h9-11,16H,4-8,12H2,1-3H3,(H,23,26)(H2,22,24,27) | UniProtKB/SwissProt
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428595
(CHEMBL2337980)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C20H30Cl2N4O3/c1-19(2,3)25-18(28)23-6-9-26-7-4-20(29,5-8-26)13-24-17(27)14-10-15(21)12-16(22)11-14/h10-12,29H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28) | UniProtKB/SwissProt
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UniChem
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428597
(CHEMBL2337978)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H26Cl2N4O2/c1-18(2,3)23-17(26)21-5-7-24-6-4-15(11-24)22-16(25)12-8-13(19)10-14(20)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,22,25)(H2,21,23,26) | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428598
(CHEMBL2337977)Show SMILES CC(C)(C)NC(=O)NCCN1CC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H24Cl2N4O2/c1-17(2,3)22-16(25)20-4-5-23-9-14(10-23)21-15(24)11-6-12(18)8-13(19)7-11/h6-8,14H,4-5,9-10H2,1-3H3,(H,21,24)(H2,20,22,25) | UniProtKB/SwissProt
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428605
(CHEMBL2338404)Show SMILES CC(C)(C)CS(=O)(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19| Show InChI InChI=1S/C23H42N4O3S/c1-22(2,3)17-31(29,30)24-4-5-26-6-8-27(9-7-26)16-21(28)25-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-20,24H,4-17H2,1-3H3,(H,25,28) | UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428611
(CHEMBL2337984)Show SMILES CC(C)(C)NC(=O)CN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16| Show InChI InChI=1S/C22H38N4O2/c1-21(2,3)23-19(27)14-25-4-6-26(7-5-25)15-20(28)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-18H,4-15H2,1-3H3,(H,23,27)(H,24,28) | UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428599
(CHEMBL2338409)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-5-7-25-6-4-13(12-25)11-23-17(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27) | PDB
UniProtKB/SwissProt
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| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50117922
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r| Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | UniProtKB/SwissProt
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PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of T-type calcium channel Cav3.2 (unknown origin) by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428608
(CHEMBL2338401)Show SMILES CC(C)(C)OC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)24-4-5-26-6-8-27(9-7-26)16-20(28)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,24,29)(H,25,28) | UniProtKB/SwissProt
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PC cid
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| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428607
(CHEMBL2338402)Show SMILES CC(C)(C)NC(=O)NCCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19| Show InChI InChI=1S/C24H43N5O2/c1-23(2,3)27-22(31)25-5-4-6-28-7-9-29(10-8-28)17-21(30)26-24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,4-17H2,1-3H3,(H,26,30)(H2,25,27,31) | UniProtKB/SwissProt
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428609
(CHEMBL2338399)Show SMILES CC(C)(C)C(=O)NCCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C24H42N4O2/c1-23(2,3)22(30)25-5-4-6-27-7-9-28(10-8-27)17-21(29)26-24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,4-17H2,1-3H3,(H,25,30)(H,26,29) | UniProtKB/SwissProt
antibodypedia
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| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428601
(CHEMBL2338407)Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-8-26-7-4-5-14(13-26)12-24-18(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,24,27)(H2,23,25,28) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428603
(CHEMBL2338405)Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C19H29Cl2N5O2/c1-19(2,3)24-18(28)22-4-5-25-6-8-26(9-7-25)13-17(27)23-16-11-14(20)10-15(21)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,27)(H2,22,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428606
(CHEMBL2338403)Show SMILES CC(C)(C)S(=O)(=O)CCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C23H41N3O3S/c1-22(2,3)30(28,29)10-4-5-25-6-8-26(9-7-25)17-21(27)24-23-14-18-11-19(15-23)13-20(12-18)16-23/h18-20H,4-17H2,1-3H3,(H,24,27) | UniProtKB/SwissProt
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PC sid
UniChem
| Article
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| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428597
(CHEMBL2337978)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H26Cl2N4O2/c1-18(2,3)23-17(26)21-5-7-24-6-4-15(11-24)22-16(25)12-8-13(19)10-14(20)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,22,25)(H2,21,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428610
(CHEMBL2338398)Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C23H40N4O2/c1-22(2,3)21(29)24-4-5-26-6-8-27(9-7-26)16-20(28)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,24,29)(H,25,28) | UniProtKB/SwissProt
antibodypedia
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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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50117922
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r| Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1 | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428600
(CHEMBL2338408)Show SMILES CC(C)(C)NC(=O)NCCN1CCOC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C19H28Cl2N4O3/c1-19(2,3)24-18(27)22-4-5-25-6-7-28-16(12-25)11-23-17(26)13-8-14(20)10-15(21)9-13/h8-10,16H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428602
(CHEMBL2338406)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-9-26-7-4-14(5-8-26)13-24-18(27)15-10-16(21)12-17(22)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428596
(CHEMBL2337979)Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-6-8-25-7-4-5-16(12-25)23-17(26)13-9-14(20)11-15(21)10-13/h9-11,16H,4-8,12H2,1-3H3,(H,23,26)(H2,22,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428598
(CHEMBL2337977)Show SMILES CC(C)(C)NC(=O)NCCN1CC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H24Cl2N4O2/c1-17(2,3)22-16(25)20-4-5-23-9-14(10-23)21-15(24)11-6-12(18)8-13(19)7-11/h6-8,14H,4-5,9-10H2,1-3H3,(H,21,24)(H2,20,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50428612
(CHEMBL2337983)Show SMILES CC(C)(C)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15| Show InChI InChI=1S/C22H40N4O/c1-21(2,3)23-4-5-25-6-8-26(9-7-25)16-20(27)24-22-13-17-10-18(14-22)12-19(11-17)15-22/h17-19,23H,4-16H2,1-3H3,(H,24,27) | UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428601
(CHEMBL2338407)Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-8-26-7-4-5-14(13-26)12-24-18(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,24,27)(H2,23,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428599
(CHEMBL2338409)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-5-7-25-6-4-13(12-25)11-23-17(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428597
(CHEMBL2337978)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H26Cl2N4O2/c1-18(2,3)23-17(26)21-5-7-24-6-4-15(11-24)22-16(25)12-8-13(19)10-14(20)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,22,25)(H2,21,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428603
(CHEMBL2338405)Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C19H29Cl2N5O2/c1-19(2,3)24-18(28)22-4-5-25-6-8-26(9-7-25)13-17(27)23-16-11-14(20)10-15(21)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,27)(H2,22,24,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428596
(CHEMBL2337979)Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-6-8-25-7-4-5-16(12-25)23-17(26)13-9-14(20)11-15(21)10-13/h9-11,16H,4-8,12H2,1-3H3,(H,23,26)(H2,22,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
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PC sid
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428598
(CHEMBL2337977)Show SMILES CC(C)(C)NC(=O)NCCN1CC(C1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H24Cl2N4O2/c1-17(2,3)22-16(25)20-4-5-23-9-14(10-23)21-15(24)11-6-12(18)8-13(19)7-11/h6-8,14H,4-5,9-10H2,1-3H3,(H,21,24)(H2,20,22,25) | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428602
(CHEMBL2338406)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-9-26-7-4-14(5-8-26)13-24-18(27)15-10-16(21)12-17(22)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428595
(CHEMBL2337980)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C20H30Cl2N4O3/c1-19(2,3)25-18(28)23-6-9-26-7-4-20(29,5-8-26)13-24-17(27)14-10-15(21)12-16(22)11-14/h10-12,29H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428604
(CHEMBL2338400)Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C23H41N5O2/c1-22(2,3)26-21(30)24-4-5-27-6-8-28(9-7-27)16-20(29)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50428600
(CHEMBL2338408)Show SMILES CC(C)(C)NC(=O)NCCN1CCOC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C19H28Cl2N4O3/c1-19(2,3)24-18(27)22-4-5-25-6-7-28-16(12-25)11-23-17(26)13-8-14(20)10-15(21)9-13/h8-10,16H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
UniProtKB/SwissProt
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | >3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of calcium channel Cav1.2 (unknown origin) expressed in CHO cells by IONWORKS patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 channel expressed in CHO cells by IONWORKS patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428604
(CHEMBL2338400)Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C23H41N5O2/c1-22(2,3)26-21(30)24-4-5-27-6-8-28(9-7-27)16-20(29)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily D member 3
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Kv4.3 channel expressed in CHO cells by IONWORKS patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428595
(CHEMBL2337980)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C20H30Cl2N4O3/c1-19(2,3)25-18(28)23-6-9-26-7-4-20(29,5-8-26)13-24-17(27)14-10-15(21)12-16(22)11-14/h10-12,29H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428600
(CHEMBL2338408)Show SMILES CC(C)(C)NC(=O)NCCN1CCOC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1 Show InChI InChI=1S/C19H28Cl2N4O3/c1-19(2,3)24-18(27)22-4-5-25-6-7-28-16(12-25)11-23-17(26)13-8-14(20)10-15(21)9-13/h8-10,16H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
(Homo sapiens (Human)) | BDBM50428594
(CHEMBL2337981)Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human HCN4 channel expressed in CHO cells by IONWORKS patch clamp assay |
Bioorg Med Chem Lett 23: 119-24 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0 |
More data for this
Ligand-Target Pair | |
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