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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P02748   
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 component C9


(Homo sapiens)
BDBM50462092
PNG
(CHEMBL4242254)
Show SMILES OC(=O)C1=C\C(=C/c2cc(cc(C(O)=O)c2O)C(c2ccc(O)c(c2)C(O)=O)c2ccc(O)c(c2)C(O)=O)C=CC1=O |c:41,t:3|
Show InChI InChI=1S/C30H20O12/c31-22-4-1-13(8-18(22)27(35)36)7-17-9-16(12-21(26(17)34)30(41)42)25(14-2-5-23(32)19(10-14)28(37)38)15-3-6-24(33)20(11-15)29(39)40/h1-12,25,32-34H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)/b13-7-
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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of C9 binding to C5b678 in zymogen activated human serum assessed as suppression of human erythrocyte lysis after 1 hr by ELISA


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
Complement component C9


(Homo sapiens)
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of C9 binding to C5b678 in zymogen activated human serum assessed as suppression of human erythrocyte lysis after 1 hr by ELISA


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
Complement component C9


(Homo sapiens)
BDBM50462103
PNG
(CHEMBL4238111)
Show SMILES OC(=O)C1=C\C(C=CC1=O)=C(\c1ccc(O)c(c1)C(O)=O)c1cc(Cc2cc(cc(C(O)=O)c2O)C(c2ccc(O)c(c2)C(O)=O)c2ccc(O)c(c2)C(O)=O)cc(C(O)=O)c1O |c:6,t:3|
Show InChI InChI=1S/C45H30O18/c46-32-5-1-19(13-25(32)40(52)53)36(20-2-6-33(47)26(14-20)41(54)55)23-12-24(38(50)31(17-23)45(62)63)9-18-10-29(39(51)30(11-18)44(60)61)37(21-3-7-34(48)27(15-21)42(56)57)22-4-8-35(49)28(16-22)43(58)59/h1-8,10-17,36,46-48,50-51H,9H2,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b37-22-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of C9 binding to C5b678 in zymogen activated human serum assessed as suppression of human erythrocyte lysis after 1 hr by ELISA


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair