Found 557 hits with Last Name = 'zou' and Initial = 'b' 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 |
|---|
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18793
(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)Show SMILES CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6| Show InChI InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21) | PDB
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| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay |
Antimicrob Agents Chemother 54: 2603-10 (2010)
Article DOI: 10.1128/AAC.01526-09
BindingDB Entry DOI: 10.7270/Q2VX0GQW |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50035483
(5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...)Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23) | PDB
MMDB
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| Article
PubMed
| 10.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay |
Antimicrob Agents Chemother 54: 2603-10 (2010)
Article DOI: 10.1128/AAC.01526-09
BindingDB Entry DOI: 10.7270/Q2VX0GQW |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
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| DrugBank
Article
PubMed
| 30.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay |
Antimicrob Agents Chemother 54: 2603-10 (2010)
Article DOI: 10.1128/AAC.01526-09
BindingDB Entry DOI: 10.7270/Q2VX0GQW |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18792
(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16) | PDB
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| 55.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay |
Antimicrob Agents Chemother 54: 2603-10 (2010)
Article DOI: 10.1128/AAC.01526-09
BindingDB Entry DOI: 10.7270/Q2VX0GQW |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50257325
(CHEMBL4090056)Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C25H45N3O7S/c1-8-9-10-11-20(29)28-21(17(4)5)24(32)26-18(12-13-36(7,33)34)23(31)27-19(14-16(2)3)22(30)25(6)15-35-25/h16-19,21H,8-15H2,1-7H3,(H,26,32)(H,27,31)(H,28,29)/t18-,19-,21-,25+/m0/s1 | PDB
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| 375 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pediatrics, School of Medicine, University of California, San Diego , La Jolla, California 92093, United States.
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human 20S proteasome beta5 subunit using suc-LLVY-AMC as substrate after 4 hrs at 30 mins time interval by fluorescence as... |
J Med Chem 60: 6721-6732 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00671
BindingDB Entry DOI: 10.7270/Q2CR5WSK |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50257327
(CHEMBL4067938)Show SMILES CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C26H47N3O5/c1-8-10-12-14-21(30)29-22(18(5)6)25(33)27-19(13-11-9-2)24(32)28-20(15-17(3)4)23(31)26(7)16-34-26/h17-20,22H,8-16H2,1-7H3,(H,27,33)(H,28,32)(H,29,30)/t19-,20-,22-,26+/m0/s1 | PDB
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| 3.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pediatrics, School of Medicine, University of California, San Diego , La Jolla, California 92093, United States.
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human 20S proteasome beta5 subunit using suc-LLVY-AMC as substrate after 4 hrs at 30 mins time interval by fluorescence as... |
J Med Chem 60: 6721-6732 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00671
BindingDB Entry DOI: 10.7270/Q2CR5WSK |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50257326
(CHEMBL4086345)Show SMILES CCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C26H47N3O5/c1-8-10-12-14-21(30)29-22(18(5)6)25(33)27-19(13-11-9-2)24(32)28-20(15-17(3)4)23(31)26(7)16-34-26/h17-20,22H,8-16H2,1-7H3,(H,27,33)(H,28,32)(H,29,30)/t19-,20-,22+,26+/m0/s1 | PDB
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| 3.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pediatrics, School of Medicine, University of California, San Diego , La Jolla, California 92093, United States.
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human 20S proteasome beta5 subunit using suc-LLVY-AMC as substrate after 4 hrs at 30 mins time interval by fluorescence as... |
J Med Chem 60: 6721-6732 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00671
BindingDB Entry DOI: 10.7270/Q2CR5WSK |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050546
(CHEMBL3182699)Show SMILES CC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 Show InChI InChI=1S/C24H21F3N2O4/c1-15(2)32-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)29-23(31)19-11-4-6-13-21(19)33-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50399540
(FORETINIB | US10464902, Foretinib | US10882853, Co...)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050547
(CHEMBL3182449)Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-16-9-7-8-15(14-16)27-21(29)17-10-3-5-12-19(17)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050542
(CHEMBL3183497)Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1 Show InChI InChI=1S/C23H22N2O4/c1-3-29-21-14-7-5-12-19(21)23(27)25-17-10-8-9-16(15-17)24-22(26)18-11-4-6-13-20(18)28-2/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50603975
(CHEMBL5201780) | PDB
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| PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50312125
(3-chloro-N-(3-(3-methylbenzamido)phenyl)benzamide ...)Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H17ClN2O2/c1-14-5-2-6-15(11-14)20(25)23-18-9-4-10-19(13-18)24-21(26)16-7-3-8-17(22)12-16/h2-13H,1H3,(H,23,25)(H,24,26) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050541
(CHEMBL3188749)Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O4/c1-30-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)27-21(29)17-10-3-5-12-19(17)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50399540
(FORETINIB | US10464902, Foretinib | US10882853, Co...)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50312105
(2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide...)Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50603974
(CHEMBL5201904)Show SMILES COc1ccc(cn1)-c1cnc2sc(N[C@@H]3CC[C@H](N)CC3)nn12 |r,wU:15.15,18.19,(-7.26,4.65,;-5.72,4.65,;-4.95,3.32,;-5.72,1.98,;-4.96,.65,;-3.42,.65,;-2.64,1.99,;-3.42,3.32,;-2.65,-.68,;-3.1,-2.13,;-1.86,-3.05,;-.65,-2.17,;.9,-2.18,;1.42,-.69,;2.91,-.3,;4,-1.38,;3.6,-2.87,;4.69,-3.96,;6.17,-3.56,;7.26,-4.65,;6.57,-2.07,;5.48,-.99,;.2,.22,;-1.11,-.68,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050538
(CHEMBL3182091)Show InChI InChI=1S/C19H16N2O2S/c1-13-5-2-6-14(11-13)18(22)20-15-7-3-8-16(12-15)21-19(23)17-9-4-10-24-17/h2-12H,1H3,(H,20,22)(H,21,23) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050544
(CHEMBL3187764)Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(C)C)c1 Show InChI InChI=1S/C24H24N2O3/c1-16(2)19-11-4-5-12-20(19)23(27)25-17-9-8-10-18(15-17)26-24(28)21-13-6-7-14-22(21)29-3/h4-16H,1-3H3,(H,25,27)(H,26,28) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50123519
(2'-{[2-(4-Methoxy-phenyl)-acetylamino]-methyl}-bip...)Show SMILES COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C30H26F2N2O3/c1-37-24-14-10-20(11-15-24)16-29(35)33-18-21-6-2-3-7-25(21)26-8-4-5-9-27(26)30(36)34-19-22-12-13-23(31)17-28(22)32/h2-15,17H,16,18-19H2,1H3,(H,33,35)(H,34,36) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50190810
(CHEMBL3975648)Show SMILES Fc1cccc(c1)N1N=C(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)S(=O)(=O)c2ccccc12 |t:9| Show InChI InChI=1S/C30H19F2N5O4S/c31-20-6-3-7-22(15-20)37-25-8-1-2-9-28(25)42(39,40)30(36-37)29(38)35-21-10-11-27(24(32)16-21)41-26-12-14-34-18-23(26)19-5-4-13-33-17-19/h1-18H,(H,35,38) | PDB
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| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050503
(CHEMBL3187482)Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-10-18(15-19)24-22(26)17-9-6-8-16(2)14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050547
(CHEMBL3182449)Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-16-9-7-8-15(14-16)27-21(29)17-10-3-5-12-19(17)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050540
(CHEMBL3182359)Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050534
(CHEMBL3183773)Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O2/c1-14-5-2-6-15(11-14)20(28)26-18-9-4-10-19(13-18)27-21(29)16-7-3-8-17(12-16)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050545
(CHEMBL3186000)Show SMILES CC(C)c1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 Show InChI InChI=1S/C24H21F3N2O3/c1-15(2)18-10-3-4-11-19(18)22(30)28-16-8-7-9-17(14-16)29-23(31)20-12-5-6-13-21(20)32-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50108104
(CHEMBL3601500)Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\C=C\c3ccc(O)c(O)c3)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:29| Show InChI InChI=1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,36-,37+,38-,39-/m0/s1 | PDB
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Kansas State University
Curated by ChEMBL
| Assay Description
Antagonist activity at endothelin A receptor in rat A7r5 cells assessed as inhibition of ET-1-induced increase in cytosolic free Ca2+ level treated 1... |
Bioorg Med Chem 23: 5985-98 (2015)
Article DOI: 10.1016/j.bmc.2015.06.055
BindingDB Entry DOI: 10.7270/Q2862J7P |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050503
(CHEMBL3187482)Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-10-18(15-19)24-22(26)17-9-6-8-16(2)14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50603992
(CHEMBL5179988) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050530
(CHEMBL3188857)Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O2/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50312105
(2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide...)Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50190915
(CHEMBL3983663)Show SMILES Fc1cc(NC(=O)C2=NN(c3ccccc3C(F)(F)F)c3ccccc3S2(=O)=O)ccc1Oc1ccncc1-c1cccnc1 |t:7| Show InChI InChI=1S/C31H19F4N5O4S/c32-23-16-20(11-12-27(23)44-26-13-15-37-18-21(26)19-6-5-14-36-17-19)38-29(41)30-39-40(24-8-2-1-7-22(24)31(33,34)35)25-9-3-4-10-28(25)45(30,42)43/h1-18H,(H,38,41) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50190808
(CHEMBL3903767)Show SMILES Fc1cccc(c1)-n1nc(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)c2ccccc2c1=O Show InChI InChI=1S/C31H19F2N5O3/c32-20-6-3-7-22(15-20)38-31(40)24-9-2-1-8-23(24)29(37-38)30(39)36-21-10-11-28(26(33)16-21)41-27-12-14-35-18-25(27)19-5-4-13-34-17-19/h1-18H,(H,36,39) | PDB
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Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050433
(CHEMBL3186489)Show InChI InChI=1S/C20H16N2O2/c23-19(15-8-3-1-4-9-15)21-17-12-7-13-18(14-17)22-20(24)16-10-5-2-6-11-16/h1-14H,(H,21,23)(H,22,24) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050508
(CHEMBL3186695)Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H17ClN2O2/c1-14-6-4-7-15(12-14)20(25)23-16-8-5-9-17(13-16)24-21(26)18-10-2-3-11-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50190914
(CHEMBL3959949)Show SMILES Fc1cc(Nc2cc(Nc3cccc(Cl)c3)ncn2)ccc1Oc1ccncc1-c1cccnc1 Show InChI InChI=1S/C26H18ClFN6O/c27-18-4-1-5-19(11-18)33-25-13-26(32-16-31-25)34-20-6-7-24(22(28)12-20)35-23-8-10-30-15-21(23)17-3-2-9-29-14-17/h1-16H,(H2,31,32,33,34) | PDB
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Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050522
(CHEMBL3182551)Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C21H17FN2O2/c1-14-5-2-6-15(11-14)20(25)23-18-9-4-10-19(13-18)24-21(26)16-7-3-8-17(22)12-16/h2-13H,1H3,(H,23,25)(H,24,26) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050157
(CHEMBL1310568)Show InChI InChI=1S/C21H18N2O2/c1-15-7-5-10-17(13-15)21(25)23-19-12-6-11-18(14-19)22-20(24)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,24)(H,23,25) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050504
(CHEMBL3182725)Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O3/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)30-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050451
(CHEMBL3182777)Show InChI InChI=1S/C18H14N2O2S/c21-17(13-6-2-1-3-7-13)19-14-8-4-9-15(12-14)20-18(22)16-10-5-11-23-16/h1-12H,(H,19,21)(H,20,22) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050495
(CHEMBL3185736)Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C22H20N2O2/c1-15-6-3-8-17(12-15)21(25)23-19-10-5-11-20(14-19)24-22(26)18-9-4-7-16(2)13-18/h3-14H,1-2H3,(H,23,25)(H,24,26) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050540
(CHEMBL3182359)Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050498
(CHEMBL3187806)Show SMILES COc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C22H20N2O3/c1-15-6-3-7-16(12-15)21(25)23-18-9-5-10-19(14-18)24-22(26)17-8-4-11-20(13-17)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50603978
(CHEMBL5187817)Show SMILES COc1ccc(-c2cnc3sc(nn23)N2CCC(C)(N)CC2)c(F)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050447
(CHEMBL1716797)Show InChI InChI=1S/C18H14N2O3/c21-17(13-6-2-1-3-7-13)19-14-8-4-9-15(12-14)20-18(22)16-10-5-11-23-16/h1-12H,(H,19,21)(H,20,22) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50190912
(CHEMBL3945597)Show SMILES Fc1ccc(Nc2cc(Nc3ccc(Oc4ccncc4-c4cccnc4)c(F)c3)ncn2)cc1F Show InChI InChI=1S/C26H17F3N6O/c27-20-5-3-17(10-21(20)28)34-25-12-26(33-15-32-25)35-18-4-6-24(22(29)11-18)36-23-7-9-31-14-19(23)16-2-1-8-30-13-16/h1-15H,(H2,32,33,34,35) | PDB
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Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 9
(Homo sapiens (Human)) | BDBM50050503
(CHEMBL3187482)Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-10-18(15-19)24-22(26)17-9-6-8-16(2)14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27) | Reactome pathway
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Potassium channel subfamily K member 3
(Homo sapiens (Human)) | BDBM50050437
(CHEMBL1532914)Show InChI InChI=1S/C20H15FN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H,23,25) | PDB
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University of Kansas Specialized Chemistry Center
Curated by ChEMBL
| Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay |
Bioorg Med Chem Lett 24: 3968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50603989
(CHEMBL5192443)Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)C1=CCCCC1 |t:19| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50191065
(CHEMBL3894843)Show SMILES Fc1ccc(cc1F)N1N=C(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)S(=O)(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C30H18F3N5O4S/c31-22-9-8-20(15-23(22)32)38-25-5-1-2-6-28(25)43(40,41)30(37-38)29(39)36-19-7-10-27(24(33)14-19)42-26-11-13-35-17-21(26)18-4-3-12-34-16-18/h1-17H,(H,36,39) | PDB
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Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay |
Eur J Med Chem 120: 37-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q |
More data for this
Ligand-Target Pair | |
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