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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'xing' and Initial = 'm'   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 100n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))		BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))		BDBM50383835
PNG
(CHEMBL2030993)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O4/c1-2-32-21-14-10-18(11-15-21)25-24(29)22-16-27(19-6-4-3-5-7-19)26-23(22)17-8-12-20(13-9-17)28(30)31/h3-16H,2H2,1H3,(H,25,29)
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n/an/a 160n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 160n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry

Bioorg Med Chem 21: 448-55 (2012)


Article DOI: 10.1016/j.bmc.2012.11.020
BindingDB Entry DOI: 10.7270/Q2NS0W7B
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50424979
PNG
(CHEMBL2311747)
Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
Show InChI InChI=1S/C25H17Br2N3O2S/c26-18-6-1-15(2-7-18)20-12-22(17-5-10-23-24(11-17)32-14-31-23)30(29-20)25-28-21(13-33-25)16-3-8-19(27)9-4-16/h1-11,13,22H,12,14H2
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n/an/a 180n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry

Bioorg Med Chem 21: 448-55 (2012)


Article DOI: 10.1016/j.bmc.2012.11.020
BindingDB Entry DOI: 10.7270/Q2NS0W7B
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383830
PNG
(CHEMBL2030988)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20ClN3O2/c1-2-30-21-14-12-19(13-15-21)26-24(29)22-16-28(20-6-4-3-5-7-20)27-23(22)17-8-10-18(25)11-9-17/h3-16H,2H2,1H3,(H,26,29)
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n/an/a 220n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50137968
PNG
(CHEMBL3754002)
Show SMILES Fc1ccc(cc1)-c1nn(cc1\C=N\OCc1ccccc1F)-c1ccccc1
Show InChI InChI=1S/C23H17F2N3O/c24-20-12-10-17(11-13-20)23-19(15-28(27-23)21-7-2-1-3-8-21)14-26-29-16-18-6-4-5-9-22(18)25/h1-15H,16H2/b26-14+
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n/an/a 280n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 4 hrs

Eur J Med Chem 108: 586-93 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.020
BindingDB Entry DOI: 10.7270/Q2T72K8V
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383816
PNG
(CHEMBL2030974)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-2-29-21-15-13-19(14-16-21)25-24(28)22-17-27(20-11-7-4-8-12-20)26-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,25,28)
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n/an/a 420n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50424976
PNG
(CHEMBL2316785)
Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
Show InChI InChI=1S/C26H19Br2N3O2S/c27-19-6-1-16(2-7-19)21-14-23(18-5-10-24-25(13-18)33-12-11-32-24)31(30-21)26-29-22(15-34-26)17-3-8-20(28)9-4-17/h1-10,13,15,23H,11-12,14H2
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n/an/a 460n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry

Bioorg Med Chem 21: 448-55 (2012)


Article DOI: 10.1016/j.bmc.2012.11.020
BindingDB Entry DOI: 10.7270/Q2NS0W7B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394508
PNG
(CHEMBL2159921)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccccc1)c1nc(O)cs1 |t:9|
Show InChI InChI=1S/C20H19N3OS/c1-13-8-9-16(10-14(13)2)17-11-18(15-6-4-3-5-7-15)23(22-17)20-21-19(24)12-25-20/h3-10,12,18,24H,11H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma in mouse lymph node cells assessed as inhibition of ConA-stimulated T cell proliferation

Eur J Med Chem 108: 586-93 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.020
BindingDB Entry DOI: 10.7270/Q2T72K8V
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383836
PNG
(CHEMBL2030978)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)23-17-28(21-7-5-4-6-8-21)27-24(23)19-11-9-18(2)10-12-19/h4-17H,3H2,1-2H3,(H,26,29)
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n/an/a 650n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383825
PNG
(CHEMBL2030983)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O3/c1-3-31-22-15-11-19(12-16-22)26-25(29)23-17-28(20-7-5-4-6-8-20)27-24(23)18-9-13-21(30-2)14-10-18/h4-17H,3H2,1-2H3,(H,26,29)
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n/an/a 780n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383834
PNG
(CHEMBL2030992)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
Show InChI InChI=1S/C23H18N4O4/c1-31-20-13-9-17(10-14-20)24-23(28)21-15-26(18-5-3-2-4-6-18)25-22(21)16-7-11-19(12-8-16)27(29)30/h2-15H,1H3,(H,24,28)
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n/an/a 790n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383829
PNG
(CHEMBL2030987)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
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n/an/a 840n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50424980
PNG
(CHEMBL2316794)
Show SMILES COc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:16|
Show InChI InChI=1S/C26H20BrN3O3S/c1-31-20-9-4-17(5-10-20)22-14-34-26(28-22)30-23(18-6-11-24-25(12-18)33-15-32-24)13-21(29-30)16-2-7-19(27)8-3-16/h2-12,14,23H,13,15H2,1H3
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n/an/a 850n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry

Bioorg Med Chem 21: 448-55 (2012)


Article DOI: 10.1016/j.bmc.2012.11.020
BindingDB Entry DOI: 10.7270/Q2NS0W7B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50137968
PNG
(CHEMBL3754002)
Show SMILES Fc1ccc(cc1)-c1nn(cc1\C=N\OCc1ccccc1F)-c1ccccc1
Show InChI InChI=1S/C23H17F2N3O/c24-20-12-10-17(11-13-20)23-19(15-28(27-23)21-7-2-1-3-8-21)14-26-29-16-18-6-4-5-9-22(18)25/h1-15H,16H2/b26-14+
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n/an/a 1.18E+3n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma in mouse lymph node cells assessed as inhibition of ConA-stimulated T cell proliferation

Eur J Med Chem 108: 586-93 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.020
BindingDB Entry DOI: 10.7270/Q2T72K8V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394505
PNG
(CHEMBL2159925)
Show SMILES Cc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(C)c(C)c1 |c:10|
Show InChI InChI=1S/C21H21N3OS/c1-13-4-7-16(8-5-13)19-11-18(17-9-6-14(2)15(3)10-17)23-24(19)21-22-20(25)12-26-21/h4-10,12,19,25H,11H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50137851
PNG
(CHEMBL3752866)
Show SMILES Fc1ccc(cc1)-c1nn(cc1\C=N\OCc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H16Cl2FN3O/c24-19-9-6-17(22(25)12-19)15-30-27-13-18-14-29(21-4-2-1-3-5-21)28-23(18)16-7-10-20(26)11-8-16/h1-14H,15H2/b27-13+
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n/an/a 1.26E+3n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 4 hrs

Eur J Med Chem 108: 586-93 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.020
BindingDB Entry DOI: 10.7270/Q2T72K8V
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50424977
PNG
(CHEMBL2316784)
Show SMILES COc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(Br)cc1 |c:16|
Show InChI InChI=1S/C27H22BrN3O3S/c1-32-21-9-4-18(5-10-21)23-16-35-27(29-23)31-24(15-22(30-31)17-2-7-20(28)8-3-17)19-6-11-25-26(14-19)34-13-12-33-25/h2-11,14,16,24H,12-13,15H2,1H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry

Bioorg Med Chem 21: 448-55 (2012)


Article DOI: 10.1016/j.bmc.2012.11.020
BindingDB Entry DOI: 10.7270/Q2NS0W7B
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383815
PNG
(CHEMBL2030973)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)24-23(27)21-16-26(19-10-6-3-7-11-19)25-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H,24,27)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383820
PNG
(CHEMBL1512579)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-17-8-10-18(11-9-17)23-22(16-27(26-23)20-6-4-3-5-7-20)24(28)25-19-12-14-21(29-2)15-13-19/h3-16H,1-2H3,(H,25,28)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383824
PNG
(CHEMBL2030982)
Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)23-22(16-27(26-23)19-6-4-3-5-7-19)24(28)25-18-10-14-21(30-2)15-11-18/h3-16H,1-2H3,(H,25,28)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50137701
PNG
(CHEMBL3752369)
Show SMILES Fc1ccc(cc1)-c1nn(cc1\C=N\OCc1ccccc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H17ClFN3O/c24-22-9-5-4-6-18(22)16-29-26-14-19-15-28(21-7-2-1-3-8-21)27-23(19)17-10-12-20(25)13-11-17/h1-15H,16H2/b26-14+
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n/an/a 1.74E+3n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma in mouse lymph node cells assessed as inhibition of ConA-stimulated T cell proliferation

Eur J Med Chem 108: 586-93 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.020
BindingDB Entry DOI: 10.7270/Q2T72K8V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394500
PNG
(CHEMBL2159924)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(Br)cc1)c1nc(O)cs1 |t:9|
Show InChI InChI=1S/C20H18BrN3OS/c1-12-3-4-15(9-13(12)2)17-10-18(14-5-7-16(21)8-6-14)24(23-17)20-22-19(25)11-26-20/h3-9,11,18,25H,10H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383831
PNG
(CHEMBL2030989)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O3/c27-22(23-17-7-3-1-4-8-17)20-15-25(18-9-5-2-6-10-18)24-21(20)16-11-13-19(14-12-16)26(28)29/h1-15H,(H,23,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383826
PNG
(CHEMBL2030984)
Show SMILES Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50424978
PNG
(CHEMBL2316777)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
Show InChI InChI=1S/C26H20BrN3O2S/c1-16-2-4-17(5-3-16)21-13-23(19-8-11-24-25(12-19)32-15-31-24)30(29-21)26-28-22(14-33-26)18-6-9-20(27)10-7-18/h2-12,14,23H,13,15H2,1H3
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n/an/a 2.23E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry

Bioorg Med Chem 21: 448-55 (2012)


Article DOI: 10.1016/j.bmc.2012.11.020
BindingDB Entry DOI: 10.7270/Q2NS0W7B
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383812
PNG
(CHEMBL1533728)
Show SMILES O=C(Nc1ccccc1)c1cn(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22(23-18-12-6-2-7-13-18)20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50424981
PNG
(CHEMBL2316793)
Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
Show InChI InChI=1S/C25H17BrClN3O2S/c26-18-6-1-16(2-7-18)21-13-33-25(28-21)30-22(17-5-10-23-24(11-17)32-14-31-23)12-20(29-30)15-3-8-19(27)9-4-15/h1-11,13,22H,12,14H2
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n/an/a 2.38E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry

Bioorg Med Chem 21: 448-55 (2012)


Article DOI: 10.1016/j.bmc.2012.11.020
BindingDB Entry DOI: 10.7270/Q2NS0W7B
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383817
PNG
(CHEMBL2030975)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c1-17-12-14-18(15-13-17)22-21(23(27)24-19-8-4-2-5-9-19)16-26(25-22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
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n/an/a 2.65E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394513
PNG
(CHEMBL2160142)
Show SMILES Oc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C18H13Cl2N3OS/c19-13-7-6-12(8-14(13)20)15-9-16(11-4-2-1-3-5-11)23(22-15)18-21-17(24)10-25-18/h1-8,10,16,24H,9H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394497
PNG
(CHEMBL2160139)
Show SMILES Cc1cccc(c1)C1CC(=NN1c1nc(O)cs1)c1ccc(C)c(C)c1 |c:10|
Show InChI InChI=1S/C21H21N3OS/c1-13-5-4-6-17(9-13)19-11-18(16-8-7-14(2)15(3)10-16)23-24(19)21-22-20(25)12-26-21/h4-10,12,19,25H,11H2,1-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383821
PNG
(CHEMBL2030979)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-17(13-15-20)22-21(23(27)24-18-8-4-2-5-9-18)16-26(25-22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394499
PNG
(CHEMBL2159926)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(C)c(C)c1 |c:11|
Show InChI InChI=1S/C21H21N3O2S/c1-13-4-5-16(10-14(13)2)18-11-19(15-6-8-17(26-3)9-7-15)24(23-18)21-22-20(25)12-27-21/h4-10,12,19,25H,11H2,1-3H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383832
PNG
(CHEMBL2030990)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4O3/c23-16-8-10-17(11-9-16)24-22(28)20-14-26(18-4-2-1-3-5-18)25-21(20)15-6-12-19(13-7-15)27(29)30/h1-14H,(H,24,28)
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n/an/a 3.04E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50137701
PNG
(CHEMBL3752369)
Show SMILES Fc1ccc(cc1)-c1nn(cc1\C=N\OCc1ccccc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H17ClFN3O/c24-22-9-5-4-6-18(22)16-29-26-14-19-15-28(21-7-2-1-3-8-21)27-23(19)17-10-12-20(25)13-11-17/h1-15H,16H2/b26-14+
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n/an/a 3.12E+3n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 4 hrs

Eur J Med Chem 108: 586-93 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.020
BindingDB Entry DOI: 10.7270/Q2T72K8V
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383827
PNG
(CHEMBL2030985)
Show SMILES Clc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H15Cl2N3O/c23-16-8-6-15(7-9-16)21-20(14-27(26-21)19-4-2-1-3-5-19)22(28)25-18-12-10-17(24)11-13-18/h1-14H,(H,25,28)
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n/an/a 3.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383813
PNG
(CHEMBL2030971)
Show SMILES Clc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H16ClN3O/c23-17-11-13-18(14-12-17)24-22(27)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27)
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n/an/a 3.57E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394501
PNG
(CHEMBL2159923)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(Cl)cc1)c1nc(O)cs1 |t:9|
Show InChI InChI=1S/C20H18ClN3OS/c1-12-3-4-15(9-13(12)2)17-10-18(14-5-7-16(21)8-6-14)24(23-17)20-22-19(25)11-26-20/h3-9,11,18,25H,10H2,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394506
PNG
(CHEMBL2160146)
Show SMILES Cc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(Cl)c(Cl)c1 |c:10|
Show InChI InChI=1S/C19H15Cl2N3OS/c1-11-2-4-12(5-3-11)17-9-16(13-6-7-14(20)15(21)8-13)23-24(17)19-22-18(25)10-26-19/h2-8,10,17,25H,9H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383818
PNG
(CHEMBL2030976)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(24)12-14-19/h2-15H,1H3,(H,25,28)
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n/an/a 4.79E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394498
PNG
(CHEMBL2159927)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1cccc(Cl)c1)c1nc(O)cs1 |t:9|
Show InChI InChI=1S/C20H18ClN3OS/c1-12-6-7-14(8-13(12)2)17-10-18(15-4-3-5-16(21)9-15)24(23-17)20-22-19(25)11-26-20/h3-9,11,18,25H,10H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383833
PNG
(CHEMBL2030991)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4O3/c23-16-8-10-17(11-9-16)24-22(28)20-14-26(18-4-2-1-3-5-18)25-21(20)15-6-12-19(13-7-15)27(29)30/h1-14H,(H,24,28)
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n/an/a 5.52E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383822
PNG
(CHEMBL2030980)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28)
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n/an/a 5.59E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50383828
PNG
(CHEMBL2030986)
Show SMILES Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C22H15BrClN3O/c23-16-8-12-18(13-9-16)25-22(28)20-14-27(19-4-2-1-3-5-19)26-21(20)15-6-10-17(24)11-7-15/h1-14H,(H,25,28)
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n/an/a 5.71E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394503
PNG
(CHEMBL2160141)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccccc1C)c1nc(O)cs1 |t:9|
Show InChI InChI=1S/C21H21N3OS/c1-13-8-9-16(10-15(13)3)18-11-19(17-7-5-4-6-14(17)2)24(23-18)21-22-20(25)12-26-21/h4-10,12,19,25H,11H2,1-3H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394509
PNG
(CHEMBL2159922)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(F)cc1)c1nc(O)cs1 |t:9|
Show InChI InChI=1S/C20H18FN3OS/c1-12-3-4-15(9-13(12)2)17-10-18(14-5-7-16(21)8-6-14)24(23-17)20-22-19(25)11-26-20/h3-9,11,18,25H,10H2,1-2H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50138037
PNG
(CHEMBL3752051)
Show SMILES Fc1ccccc1CO\N=C\c1cn(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18FN3O/c24-22-14-8-7-11-19(22)17-28-25-15-20-16-27(21-12-5-2-6-13-21)26-23(20)18-9-3-1-4-10-18/h1-16H,17H2/b25-15+
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n/an/a 6.57E+3n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 4 hrs

Eur J Med Chem 108: 586-93 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.020
BindingDB Entry DOI: 10.7270/Q2T72K8V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50394496
PNG
(CHEMBL2158024)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(Cl)c(Cl)c1 |c:11|
Show InChI InChI=1S/C19H15Cl2N3O2S/c1-26-13-5-2-11(3-6-13)17-9-16(12-4-7-14(20)15(21)8-12)23-24(17)19-22-18(25)10-27-19/h2-8,10,17,25H,9H2,1H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 by chemiluminescent assay

Bioorg Med Chem 20: 6648-54 (2012)


Article DOI: 10.1016/j.bmc.2012.09.021
BindingDB Entry DOI: 10.7270/Q2FX7BKC
More data for this
Ligand-Target Pair
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