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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'zhao' and Initial = 'pl'   
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
Cytochrome b


(Sus scrofa)
BDBM50487138
PNG
(CHEMBL2251795)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(Cl)ccc1O
Show InChI InChI=1S/C22H21ClN2O5/c1-25-21(11-19(24-25)17-10-15(23)8-9-20(17)26)30-12-14-6-4-5-7-16(14)18(13-28-2)22(27)29-3/h4-11,13,26H,12H2,1-3H3/b18-13+
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0.570n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487139
PNG
(CHEMBL2251793)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O
Show InChI InChI=1S/C22H22N2O5/c1-24-21(12-19(23-24)17-10-6-7-11-20(17)25)29-13-15-8-4-5-9-16(15)18(14-27-2)22(26)28-3/h4-12,14,25H,13H2,1-3H3/b18-14+
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1.20n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487144
PNG
(CHEMBL2251794)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1O
Show InChI InChI=1S/C23H24N2O5/c1-15-9-10-21(26)18(11-15)20-12-22(25(2)24-20)30-13-16-7-5-6-8-17(16)19(14-28-3)23(27)29-4/h5-12,14,26H,13H2,1-4H3/b19-14+
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3.10n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487137
PNG
(CHEBI:78780 | DNDI1724943 | PYRACLOSTROBIN)
Show SMILES CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487146
PNG
(CHEMBL2251796)
Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O
Show InChI InChI=1S/C21H21N3O5/c1-24-19(12-17(22-24)16-10-6-7-11-18(16)25)29-13-14-8-4-5-9-15(14)20(23-28-3)21(26)27-2/h4-12,25H,13H2,1-3H3/b23-20+
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3.80n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487145
PNG
(CHEMBL2251799)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C29H28N2O5/c1-31-28(36-19-22-13-7-8-14-23(22)25(20-33-2)29(32)34-3)17-26(30-31)24-15-9-10-16-27(24)35-18-21-11-5-4-6-12-21/h4-17,20H,18-19H2,1-3H3/b25-20+
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13n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487142
PNG
(CHEMBL2251798)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1OC
Show InChI InChI=1S/C24H26N2O5/c1-16-10-11-22(29-4)19(12-16)21-13-23(26(2)25-21)31-14-17-8-6-7-9-18(17)20(15-28-3)24(27)30-5/h6-13,15H,14H2,1-5H3/b20-15+
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20n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487143
PNG
(CHEMBL2251797)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OC
Show InChI InChI=1S/C23H24N2O5/c1-25-22(13-20(24-25)18-11-7-8-12-21(18)28-3)30-14-16-9-5-6-10-17(16)19(15-27-2)23(26)29-4/h5-13,15H,14H2,1-4H3/b19-15+
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29n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487141
PNG
(CHEMBL2251800)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25FN2O6/c1-32-27(37-17-20-8-4-5-9-22(20)24(18-35-2)29(34)36-3)16-25(31-32)23-10-6-7-11-26(23)38-28(33)19-12-14-21(30)15-13-19/h4-16,18H,17H2,1-3H3/b24-18+
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98n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487140
PNG
(CHEBI:2962 | Kresoxim-Methyl)
Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1ccccc1C
Show InChI InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
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160n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487147
PNG
(AZOXYSTROBIN | CHEBI:40909 | DNDI1511705 | TCMDC-1...)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Show InChI InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
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298n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50513526
PNG
(CHEMBL4526687)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3nc4ccccc4s3)n2)cc1
Show InChI InChI=1S/C18H14FN5O2S2/c1-28(25,26)12-8-6-11(7-9-12)21-17-20-10-13(19)16(23-17)24-18-22-14-4-2-3-5-15(14)27-18/h2-10H,1H3,(H2,20,21,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50513523
PNG
(CHEMBL4454288)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(Nc3nc4ccc(F)cc4s3)n2)cc1
Show InChI InChI=1S/C17H13FN6O2S2/c18-10-1-6-13-14(9-10)27-17(22-13)24-15-7-8-20-16(23-15)21-11-2-4-12(5-3-11)28(19,25)26/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50513527
PNG
(CHEMBL4435968)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3nc4ccccc4s3)n2)cc1
Show InChI InChI=1S/C17H13FN6O2S2/c18-12-9-20-16(21-10-5-7-11(8-6-10)28(19,25)26)23-15(12)24-17-22-13-3-1-2-4-14(13)27-17/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 17n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50513522
PNG
(CHEMBL4528300)
Show SMILES Cc1ccc2nc(Nc3nc(Nc4ccc(cc4)S(N)(=O)=O)ncc3F)sc2c1
Show InChI InChI=1S/C18H15FN6O2S2/c1-10-2-7-14-15(8-10)28-18(23-14)25-16-13(19)9-21-17(24-16)22-11-3-5-12(6-4-11)29(20,26)27/h2-9H,1H3,(H2,20,26,27)(H2,21,22,23,24,25)
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n/an/a 21n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50513524
PNG
(CHEMBL4475342)
Show SMILES Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H16N6O2S2/c1-11-10-20-17(21-12-6-8-13(9-7-12)28(19,25)26)23-16(11)24-18-22-14-4-2-3-5-15(14)27-18/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 22n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50513525
PNG
(CHEMBL4543030)
Show SMILES Cc1cnc(Nc2ccc(cc2)S(C)(=O)=O)nc1Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H17N5O2S2/c1-12-11-20-18(21-13-7-9-14(10-8-13)28(2,25)26)23-17(12)24-19-22-15-5-3-4-6-16(15)27-19/h3-11H,1-2H3,(H2,20,21,22,23,24)
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n/an/a 38n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 45n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50600287
PNG
(CHEMBL5178919)
Show SMILES COc1ccc(\C=N\n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cc3ccccc3[nH]2)cc1
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n/an/a 71n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128721
BindingDB Entry DOI: 10.7270/Q2HD80QV
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 4.22E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization by spectrophotometric analysis


Eur J Med Chem 162: 525-533 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.038
BindingDB Entry DOI: 10.7270/Q2CC1436
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50521053
PNG
(CHEMBL4578059)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1c([nH]c2cc(Cl)ccc12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl2N2O5/c1-32-19-10-14(11-20(33-2)24(19)34-3)25(31)29-21-17-9-8-16(27)12-18(17)28-22(21)23(30)13-4-6-15(26)7-5-13/h4-12,28H,1-3H3,(H,29,31)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization by spectrophotometric analysis


Eur J Med Chem 162: 525-533 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.038
BindingDB Entry DOI: 10.7270/Q2CC1436
More data for this
Ligand-Target Pair