Found 23882 hits Enz. Inhib. hit(s) with Target = 'Voltage-gated potassium channel' 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095768
(CHEMBL3590463)Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCc1cccc(CCCCCCC)[n+]1C Show InChI InChI=1S/C20H36N.CHF3O3S/c1-4-6-8-10-12-15-19-17-14-18-20(21(19)3)16-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h14,17-18H,4-13,15-16H2,1-3H3;(H,5,6,7)/q+1;/p-1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095652
(CHEMBL3590452)Show SMILES CN(CCCCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5/c1-20(14-12-16-4-6-17(7-5-16)21(23)24)13-2-3-15-27-19-10-8-18(9-11-19)22(25)26/h4-11H,2-3,12-15H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095764
(CHEMBL3140084)Show InChI InChI=1S/C14H15N3O/c1-10-4-3-5-11(2)13(10)17-14(18)16-12-6-8-15-9-7-12/h3-9H,1-2H3,(H2,15,16,17,18) | PDB
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| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50427971
(CHEMBL2325208)Show InChI InChI=1S/C22H40N/c1-4-6-8-10-12-14-17-21-19-16-20-22(23(21)3)18-15-13-11-9-7-5-2/h16,19-20H,4-15,17-18H2,1-3H3/q+1 | PDB
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| Article
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| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21025
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Affinity against the Opioid receptor delta 1 |
J Med Chem 29: 531-7 (1986)
BindingDB Entry DOI: 10.7270/Q2WH2QKX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001551
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2 | PDB
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| n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095642
(CHEMBL3590446)Show SMILES CCN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H21N3O5/c1-2-19(12-11-15-3-5-16(6-4-15)20(22)23)13-14-26-18-9-7-17(8-10-18)21(24)25/h3-10H,2,11-14H2,1H3 | PDB
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| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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| n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to MINK |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095769
(CHEMBL3590465)Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCc1cccc(CCCCCCCCC)[n+]1C Show InChI InChI=1S/C24H44N.CHF3O3S/c1-4-6-8-10-12-14-16-19-23-21-18-22-24(25(23)3)20-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h18,21-22H,4-17,19-20H2,1-3H3;(H,5,6,7)/q+1;/p-1 | PDB
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| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001554
(22-cyclopropylmethyl-6-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cccc(N=C=S)c2c1CC35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-16-21-17(28-13-34)2-1-3-18(21)29-23(16)25-26(27,22(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2 | PDB
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| n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001553
(22-cyclopropylmethyl-8-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cc(ccc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-5-4-16(28-13-34)10-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2 | PDB
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| n/a | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001552
(22-cyclopropylmethyl-7-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(cc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:8:7:29:18.4.5,17:18:29:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50427960
(CHEMBL2324244)Show SMILES C[n+]1c(CCCOc2ccc(Cl)cc2)cccc1CCCOc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2NO2/c1-27-21(7-3-17-28-23-13-9-19(25)10-14-23)5-2-6-22(27)8-4-18-29-24-15-11-20(26)12-16-24/h2,5-6,9-16H,3-4,7-8,17-18H2,1H3/q+1 | PDB
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| n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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| n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095767
(CHEMBL3590462)Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCc1cccc(CCCCCC)[n+]1C Show InChI InChI=1S/C18H32N.CHF3O3S/c1-4-6-8-10-13-17-15-12-16-18(19(17)3)14-11-9-7-5-2;2-1(3,4)8(5,6)7/h12,15-16H,4-11,13-14H2,1-3H3;(H,5,6,7)/q+1;/p-1 | PDB
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50021328
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O |TLB:1:2:20.13.19:4.10.9| Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Affinity against the Opioid receptor delta 1 |
J Med Chem 29: 531-7 (1986)
BindingDB Entry DOI: 10.7270/Q2WH2QKX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001554
(22-cyclopropylmethyl-6-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cccc(N=C=S)c2c1CC35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-16-21-17(28-13-34)2-1-3-18(21)29-23(16)25-26(27,22(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095760
(CHEMBL3093959)Show InChI InChI=1S/C19H32ClN/c1-3-5-6-7-9-16-21(4-2)17-10-8-11-18-12-14-19(20)15-13-18/h12-15H,3-11,16-17H2,1-2H3 | PDB
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001551
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095759
(CHEMBL3590458)Show SMILES C[N+]1(CCc2ccccc2)CCC(CC1)C(=O)c1ccc(Cl)cc1 |(-7.72,-.15,;-6.67,-.78,;-6.62,-2.3,;-5.29,-3.07,;-5.28,-4.61,;-3.95,-5.38,;-3.94,-6.92,;-5.28,-7.69,;-6.61,-6.92,;-6.61,-5.38,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-2.67,2.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C21H28FN3O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15H2,1H3 | PDB
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against the Opioid receptor delta 1 |
J Med Chem 29: 531-7 (1986)
BindingDB Entry DOI: 10.7270/Q2WH2QKX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095641
(CHEMBL3590445)Show SMILES CN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H19N3O5/c1-18(11-10-14-2-4-15(5-3-14)19(21)22)12-13-25-17-8-6-16(7-9-17)20(23)24/h2-9H,10-13H2,1H3 | PDB
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| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB
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| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to MINK |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095757
(CHEMBL3590457)Show InChI InChI=1S/C22H27NO/c1-18-9-11-20(12-10-18)22(24)21-13-16-23(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3 | PDB
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| n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095734
(CHEMBL3590456)Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30?,31-,32-,33-/m0/s1 | PDB
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001552
(22-cyclopropylmethyl-7-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(cc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:8:7:29:18.4.5,17:18:29:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 0.25 nM concentration expressed as dissociation consta... |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095780
(CHEMBL3590466)Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCCc1cccc(CCCCCCCCCC)[n+]1C Show InChI InChI=1S/C26H48N.CHF3O3S/c1-4-6-8-10-12-14-16-18-21-25-23-20-24-26(27(25)3)22-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h20,23-24H,4-19,21-22H2,1-3H3;(H,5,6,7)/q+1;/p-1 | PDB
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| n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001553
(22-cyclopropylmethyl-8-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cc(ccc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-5-4-16(28-13-34)10-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2 | PDB
Reactome pathway
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University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 0.25 nM concentration |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095643
(CHEMBL3590447)Show SMILES [O-][N+](=O)c1ccc(CCN(CCF)CCOc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H20FN3O5/c19-10-12-20(11-9-15-1-3-16(4-2-15)21(23)24)13-14-27-18-7-5-17(6-8-18)22(25)26/h1-8H,9-14H2 | PDB
MMDB
Reactome pathway
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095640
(CHEMBL3590444)Show SMILES [O-][N+](=O)c1ccc(CCNCCOc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H17N3O5/c20-18(21)14-3-1-13(2-4-14)9-10-17-11-12-24-16-7-5-15(6-8-16)19(22)23/h1-8,17H,9-12H2 | PDB
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095792
(CHEMBL3590470)Show SMILES C[n+]1c(CCc2ccc(cc2)-c2ccccc2)cccc1CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H32N/c1-35-33(25-19-27-15-21-31(22-16-27)29-9-4-2-5-10-29)13-8-14-34(35)26-20-28-17-23-32(24-18-28)30-11-6-3-7-12-30/h2-18,21-24H,19-20,25-26H2,1H3/q+1 | PDB
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001551
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S |TLB:30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12| Show InChI InChI=1S/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2 | PDB
Reactome pathway
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University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration |
J Med Chem 35: 4086-91 (1992)
BindingDB Entry DOI: 10.7270/Q27S7MQ7 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095795
(CHEMBL3590495)Show SMILES [O-]S(=O)(=O)C(F)(F)F.Cc1cccc(c1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2cccc(C)c2)[n+]1C Show InChI InChI=1S/C36H28N.CHF3O3S/c1-27-7-4-9-33(25-27)31-19-13-29(14-20-31)17-23-35-11-6-12-36(37(35)3)24-18-30-15-21-32(22-16-30)34-10-5-8-28(2)26-34;2-1(3,4)8(5,6)7/h4-16,19-22,25-26H,1-3H3;(H,5,6,7)/q+1;/p-1 | PDB
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| n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50355499
(CHEMBL1908395 | CHEMBL1908842)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095722
(CHEMBL3590453)Show SMILES CN(CCCCOc1ccc(cc1)[N+]([O-])=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H21N3O5/c1-19(14-15-4-6-16(7-5-15)20(22)23)12-2-3-13-26-18-10-8-17(9-11-18)21(24)25/h4-11H,2-3,12-14H2,1H3 | PDB
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| n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095761
(CHEMBL3093953)Show InChI InChI=1S/C19H31N/c1-3-5-6-7-12-17-20(4-2)18-13-11-16-19-14-9-8-10-15-19/h8-11,13-15H,3-7,12,16-18H2,1-2H3/b13-11+ | PDB
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Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095644
(CHEMBL3590448)Show SMILES [O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)CC#N)cc1 Show InChI InChI=1S/C18H18N4O5/c19-10-12-20(11-9-15-1-3-16(4-2-15)21(23)24)13-14-27-18-7-5-17(6-8-18)22(25)26/h1-8H,9,11-14H2 | PDB
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| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM15138
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for MINK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50145062
(1-[12b-hydroxy-1b,3a,10b-trimethyl-2,3,4,5-tetra(m...)Show SMILES COC(=O)C12O[C@@H]1C(=C)C[C@@]1(O)[C@@H]3CC[C@@]4(C)[C@@H]5C=CC(=O)OC[C@]5(C(C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C |c:19| Show InChI InChI=1S/C40H52O16/c1-18-16-39(48)26-14-15-35(8)25-12-13-27(46)50-17-38(25,19(2)51-20(3)41)31(53-22(5)43)28(52-21(4)42)29(35)36(26,9)32(54-23(6)44)33(55-24(7)45)37(39,10)40(30(18)56-40)34(47)49-11/h12-13,19,25-26,28-33,48H,1,14-17H2,2-11H3/t19?,25-,26+,28-,29-,30+,31-,32+,33-,35-,36-,37+,38+,39+,40?/m0/s1 | PDB
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Institute of Medical Research Biotechnology Centre
Curated by ChEMBL
| Assay Description
Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes |
J Med Chem 47: 2326-36 (2004)
Article DOI: 10.1021/jm030523s
BindingDB Entry DOI: 10.7270/Q28W3CRM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50452273
(Dihydromorphine)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Affinity against the Opioid receptor delta 1 |
J Med Chem 29: 531-7 (1986)
BindingDB Entry DOI: 10.7270/Q2WH2QKX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095639
(CHEMBL3093972)Show InChI InChI=1S/C25H33N/c1-3-5-6-7-14-21-26(4-2)22-15-20-25(23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,25H,3-7,14,21-22H2,1-2H3 | PDB
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| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a... |
J Med Chem 58: 5916-29 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V |
More data for this
Ligand-Target Pair | |
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