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Compile Data Set for Download or QSAR

Found 333 hits with Last Name = 'zou' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18793
PNG
(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)
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7.70n/an/an/an/an/an/an/an/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
PNG
(5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...)
Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1
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)
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10.2n/an/an/an/an/an/an/an/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
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
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)
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30.8n/an/an/an/an/an/an/an/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
PNG
(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6|
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)
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55.6n/an/an/an/an/an/an/an/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
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050546
PNG
(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)
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n/an/a 1n/an/an/an/an/an/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
PNG
(FORETINIB)
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)
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n/an/a 1.10n/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050547
PNG
(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)
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n/an/a 2n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050542
PNG
(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)
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n/an/a 2n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50312125
PNG
(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)
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n/an/a 3n/an/an/an/an/an/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
PNG
(FORETINIB)
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)
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n/an/a 4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 120: 37-50 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50312105
PNG
(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)
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n/an/a 4n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050541
PNG
(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)
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n/an/a 4n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050538
PNG
(CHEMBL3182091)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
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)
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n/an/a 5n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50123519
PNG
(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)
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n/an/a 7n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050544
PNG
(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)
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n/an/a 7n/an/an/an/an/an/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
PNG
(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)
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n/an/a 8.20n/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050503
PNG
(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)
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n/an/a 9n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050534
PNG
(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)
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n/an/a 10n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050547
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



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 protein TASK-1


(Homo sapiens (Human))
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
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)
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n/an/a 10n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050545
PNG
(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)
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n/an/a 11n/an/an/an/an/an/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
EDNRA


(RAT)
BDBM50108104
PNG
(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=1/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-/s2
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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)


BindingDB Entry DOI: 10.7270/Q2862J7P
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050503
PNG
(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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050530
PNG
(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)
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n/an/a 14n/an/an/an/an/an/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 protein TASK-1


(Homo sapiens (Human))
BDBM50312105
PNG
(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)
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n/an/a 16n/an/an/an/an/an/a



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
PNG
(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)
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n/an/a 17n/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190808
PNG
(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)
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n/an/a 19n/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050433
PNG
(CHEMBL3186489)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1
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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050508
PNG
(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)
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n/an/a 23n/an/an/an/an/an/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))
BDBM50190914
PNG
(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)
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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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050522
PNG
(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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050157
PNG
(CHEMBL1310568)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050451
PNG
(CHEMBL3182777)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1
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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050504
PNG
(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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050495
PNG
(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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050498
PNG
(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)
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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 protein TASK-1


(Homo sapiens (Human))
BDBM50050447
PNG
(CHEMBL1716797)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccco1
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)
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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 9


(Homo sapiens (Human))
BDBM50050503
PNG
(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)
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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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190912
PNG
(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)
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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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050437
PNG
(CHEMBL1532914)
Show SMILES Fc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
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)
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n/an/a 45n/an/an/an/an/an/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))
BDBM50191065
PNG
(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)
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n/an/a 47n/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190809
PNG
(CHEMBL3942488)
Show SMILES Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)C(=O)Nc1ccc(Oc2ccncc2-c2cccnc2)c(F)c1
Show InChI InChI=1S/C27H18ClFN6O4/c1-34-26(37)24(33-35(27(34)38)19-7-4-17(28)5-8-19)25(36)32-18-6-9-23(21(29)13-18)39-22-10-12-31-15-20(22)16-3-2-11-30-14-16/h2-15H,1H3,(H,32,36)
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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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050440
PNG
(CHEMBL3184966)
Show SMILES Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H15ClN2O2/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)
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n/an/a 52n/an/an/an/an/an/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))
BDBM50190916
PNG
(CHEMBL3894838)
Show SMILES Fc1ccc(cc1)-n1nc(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)c2ccccc2c1=O
Show InChI InChI=1S/C31H19F2N5O3/c32-20-7-10-22(11-8-20)38-31(40)24-6-2-1-5-23(24)29(37-38)30(39)36-21-9-12-28(26(33)16-21)41-27-13-15-35-18-25(27)19-4-3-14-34-17-19/h1-18H,(H,36,39)
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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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190909
PNG
(CHEMBL3980971)
Show SMILES Fc1cc(Nc2cc(Nc3ccccc3)ncn2)ccc1Oc1ccncc1-c1cccnc1
Show InChI InChI=1S/C26H19FN6O/c27-22-13-20(33-26-14-25(30-17-31-26)32-19-6-2-1-3-7-19)8-9-24(22)34-23-10-12-29-16-21(23)18-5-4-11-28-15-18/h1-17H,(H2,30,31,32,33)
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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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50191062
PNG
(CHEMBL3951223)
Show SMILES Cn1c(=O)c(nn(-c2c(Cl)cccc2Cl)c1=O)C(=O)Nc1ccc(Oc2ccncc2-c2cccnc2)c(F)c1 |(19.76,-7.12,;19.77,-8.66,;18.45,-9.44,;17.11,-8.68,;18.46,-10.98,;19.8,-11.74,;21.13,-10.96,;22.46,-11.72,;22.47,-13.26,;21.13,-14.05,;23.81,-14.02,;25.15,-13.24,;25.13,-11.7,;23.79,-10.94,;23.78,-9.39,;21.11,-9.42,;22.45,-8.64,;17.13,-11.76,;17.14,-13.3,;15.79,-11,;14.46,-11.78,;14.47,-13.32,;13.14,-14.1,;11.81,-13.34,;10.48,-14.12,;10.49,-15.66,;11.82,-16.42,;11.84,-17.96,;10.51,-18.74,;9.17,-17.98,;9.16,-16.44,;7.82,-15.68,;6.49,-16.46,;5.15,-15.69,;5.14,-14.15,;6.47,-13.38,;7.81,-14.14,;11.8,-11.8,;10.45,-11.04,;13.13,-11.02,)|
Show InChI InChI=1S/C27H17Cl2FN6O4/c1-35-26(38)23(34-36(27(35)39)24-18(28)5-2-6-19(24)29)25(37)33-16-7-8-22(20(30)12-16)40-21-9-11-32-14-17(21)15-4-3-10-31-13-15/h2-14H,1H3,(H,33,37)
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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)


BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050504
PNG
(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)
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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 9


(Homo sapiens (Human))
BDBM50050542
PNG
(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)
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University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (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
EDNRA


(RAT)
BDBM50108104
PNG
(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=1/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-/s2
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Kansas State University

Curated by ChEMBL


Assay Description
Antagonist activity at endothelin A receptor in Wistar rat thoracic aorta strips assessed as inhibition of ET1-induced vasoconstriction preincubated ...


Bioorg Med Chem 23: 5985-98 (2015)


BindingDB Entry DOI: 10.7270/Q2862J7P
More data for this
Ligand-Target Pair
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