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Compile Data Set for Download or QSAR

Found 4 hits of kd for UniProtKB: P01031   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement C5


(Homo sapiens)
BDBM50103504
PNG
(CHEBI:9352 | Clinoril | Sulindac)
Show SMILES C[S+]([O-])c1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:10|
Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/an/a 570n/an/an/an/an/a



Indian Institute of Technology Bhubaneswar

Curated by ChEMBL


Assay Description
Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115052
BindingDB Entry DOI: 10.7270/Q2ZP49JM
More data for this
Ligand-Target Pair
Complement C5


(Homo sapiens)
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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MCE
KEGG
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Article
PubMed
n/an/an/a 580n/an/an/an/an/a



Indian Institute of Technology Bhubaneswar

Curated by ChEMBL


Assay Description
Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115052
BindingDB Entry DOI: 10.7270/Q2ZP49JM
More data for this
Ligand-Target Pair
Complement C5


(Homo sapiens)
BDBM50002861
PNG
(3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid | CHEM...)
Show SMILES OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
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Article
PubMed
n/an/an/a 640n/an/an/an/an/a



Indian Institute of Technology Bhubaneswar

Curated by ChEMBL


Assay Description
Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115052
BindingDB Entry DOI: 10.7270/Q2ZP49JM
More data for this
Ligand-Target Pair
Complement C5


(Homo sapiens)
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
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Article
PubMed
n/an/an/a 710n/an/an/an/an/a



Indian Institute of Technology Bhubaneswar

Curated by ChEMBL


Assay Description
Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115052
BindingDB Entry DOI: 10.7270/Q2ZP49JM
More data for this
Ligand-Target Pair