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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'fang' and Initial = 'p'   
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))
BDBM50606099
PNG
(CHEMBL5196589)
Show SMILES [#8]-c1ccc(cc1)-[#6]-1=[#6](-[#6]-2-[#8]-[#6]-1-[#6]-[#6]-2S(=O)(=O)[#8]-c1cccc2ccccc12)-c1ccc([Se;v2]c2ccccc2)cc1 |t:8,TLB:28:8:10:13.12,THB:4:7:10:13.12,14:13:10:7.8|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00525
BindingDB Entry DOI: 10.7270/Q24B35CF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50035605
PNG
(CHEMBL3338322)
Show SMILES CC(=O)N\C=C/c1ccc2OC(NC(C)=O)C(Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H20N2O6/c1-11(23)21-8-7-13-3-6-17-18(9-13)27-19(20(28-17)22-12(2)24)14-4-5-15(25)16(26)10-14/h3-10,19-20,25-26H,1-2H3,(H,21,23)(H,22,24)/b8-7-
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 pre-incubated for 15 mins before arachidonic acid addition by fluorescence micro plate reader method


Bioorg Med Chem Lett 24: 5164-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.083
BindingDB Entry DOI: 10.7270/Q2K075W8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50035608
PNG
(CHEMBL137743)
Show SMILES CC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.89E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 pre-incubated for 15 mins before arachidonic acid addition by fluorescence micro plate reader method


Bioorg Med Chem Lett 24: 5164-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.083
BindingDB Entry DOI: 10.7270/Q2K075W8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50035607
PNG
(CHEMBL75390)
Show SMILES CC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H10O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h2-6,12-13H,1H3/b3-2+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.22E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 pre-incubated for 15 mins before arachidonic acid addition by fluorescence micro plate reader method


Bioorg Med Chem Lett 24: 5164-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.083
BindingDB Entry DOI: 10.7270/Q2K075W8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50035606
PNG
(CHEMBL3338324)
Show SMILES CC(=O)NC[C@@H](OC[C@H](O)CO)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C13H19NO6/c1-8(16)14-5-13(20-7-10(17)6-15)9-2-3-11(18)12(19)4-9/h2-4,10,13,15,17-19H,5-7H2,1H3,(H,14,16)/t10-,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.17E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 pre-incubated for 15 mins before arachidonic acid addition by fluorescence micro plate reader method


Bioorg Med Chem Lett 24: 5164-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.083
BindingDB Entry DOI: 10.7270/Q2K075W8
More data for this
Ligand-Target Pair