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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'zhou' and Initial = 'ch'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
PDB

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PDB
Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human ERalpha expressed in african green monkey CV1 cells assessed as inhibition of estrogen like activity after 24 hrs by luc...


J Nat Prod 69: 247-50 (2006)


Article DOI: 10.1021/np050457s
BindingDB Entry DOI: 10.7270/Q22B8XS6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50615579
PNG
(CHEMBL5288923)
PDB
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n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50615578
PNG
(CHEMBL5284949)
PDB
MMDB

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n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50615582
PNG
(CHEMBL4459149)
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50615581
PNG
(CHEMBL4529159)
MMDB

KEGG

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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50615580
PNG
(CHEMBL4529198)
MMDB

KEGG

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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM222028
PNG
(1-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Clc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20ClN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM222036
PNG
(2-(Morpholinomethyl)-1-((5-o-tolyl-1,3,4-oxadiazol...)
Show SMILES Cc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O2/c1-16-6-2-3-7-17(16)22-25-24-21(29-22)15-27-19-9-5-4-8-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3
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n/an/a 1.14E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50615581
PNG
(CHEMBL4529159)
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 1.28E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50615582
PNG
(CHEMBL4459149)
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 1.28E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50615580
PNG
(CHEMBL4529198)
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
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n/an/a 1.28E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM222038
PNG
(1-((5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)methy...)
Show SMILES COc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O3/c1-28-19-9-5-2-6-16(19)22-25-24-21(30-22)15-27-18-8-4-3-7-17(18)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3
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n/an/a 1.37E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50249787
PNG
(CHEMBL4752218)
Show SMILES CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(cc12)N1CCN(CC#N)CC1
Show InChI InChI=1S/C20H19N3O5S/c1-12-7-14-9-15(17(27-3)10-16(14)23(2)20(12)24)22-29(25,26)19-6-5-13(11-21)8-18(19)28-4/h5-10,22H,1-4H3
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n/an/a 1.67E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.01.072
BindingDB Entry DOI: 10.7270/Q2794889
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a 1.86E+4n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD9 (amino acids 120-240) (unknown origin) assessed as displacememnt of NanoLuc-tagged BRD9 from Halo-tagged histone H3.3 expres...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.01.072
BindingDB Entry DOI: 10.7270/Q2794889
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50320723
PNG
(4-(5-mercapto-1,3,4-oxadiazol-2-yl)phenol | 5-(4-h...)
Show SMILES Oc1ccc(cc1)-c1nnc(S)o1
Show InChI InChI=1S/C8H6N2O2S/c11-6-3-1-5(2-4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
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n/an/a 3.82E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 8.56E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 8.95E+8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50250270
PNG
(7,8-trans-8,8'-trans-7',8'-cis-7,7'-bis(5-methoxy-...)
Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@@H]([C@@H](COC(C)=O)[C@@H]1CO)c1cc2OCOc2c(OC)c1 |r|
Show InChI InChI=1S/C24H26O10/c1-12(26)29-9-16-15(8-25)21(13-4-17(27-2)23-19(6-13)30-10-32-23)34-22(16)14-5-18(28-3)24-20(7-14)31-11-33-24/h4-7,15-16,21-22,25H,8-11H2,1-3H3/t15-,16-,21-,22+/m0/s1
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Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human ERalpha expressed in african green monkey CV1 cells by luciferase reporter gene assay relative to 17beta estradiol


J Nat Prod 69: 247-50 (2006)


Article DOI: 10.1021/np050457s
BindingDB Entry DOI: 10.7270/Q22B8XS6
More data for this
Ligand-Target Pair