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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P06681   
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 C2


(Homo sapiens)
BDBM50462097
PNG
(CHEMBL4247125)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
Show InChI InChI=1S/C35H66N12O7/c1-19(2)15-26(31(52)42-22(7)29(50)44-24(18-48)11-9-13-40-34(36)37)46-33(54)28(17-21(5)6)47-32(53)27(16-20(3)4)45-30(51)25(43-23(8)49)12-10-14-41-35(38)39/h18-22,24-28H,9-17H2,1-8H3,(H,42,52)(H,43,49)(H,44,50)(H,45,51)(H,46,54)(H,47,53)(H4,36,37,40)(H4,38,39,41)/t22-,24-,25-,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive/reversible inhibition of human C2 using Ac-SHLGLAR-pNA as substrate


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 C2


(Homo sapiens)
BDBM50462097
PNG
(CHEMBL4247125)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
Show InChI InChI=1S/C35H66N12O7/c1-19(2)15-26(31(52)42-22(7)29(50)44-24(18-48)11-9-13-40-34(36)37)46-33(54)28(17-21(5)6)47-32(53)27(16-20(3)4)45-30(51)25(43-23(8)49)12-10-14-41-35(38)39/h18-22,24-28H,9-17H2,1-8H3,(H,42,52)(H,43,49)(H,44,50)(H,45,51)(H,46,54)(H,47,53)(H4,36,37,40)(H4,38,39,41)/t22-,24-,25-,26-,27-,28-/m0/s1
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 human C2-mediated C3 processing after 24 hrs by SDS-PAGE


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 C2


(Homo sapiens)
BDBM50462097
PNG
(CHEMBL4247125)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
Show InChI InChI=1S/C35H66N12O7/c1-19(2)15-26(31(52)42-22(7)29(50)44-24(18-48)11-9-13-40-34(36)37)46-33(54)28(17-21(5)6)47-32(53)27(16-20(3)4)45-30(51)25(43-23(8)49)12-10-14-41-35(38)39/h18-22,24-28H,9-17H2,1-8H3,(H,42,52)(H,43,49)(H,44,50)(H,45,51)(H,46,54)(H,47,53)(H4,36,37,40)(H4,38,39,41)/t22-,24-,25-,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of C2-mediated MAC formation in human serum 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 C2


(Homo sapiens)
BDBM50462097
PNG
(CHEMBL4247125)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
Show InChI InChI=1S/C35H66N12O7/c1-19(2)15-26(31(52)42-22(7)29(50)44-24(18-48)11-9-13-40-34(36)37)46-33(54)28(17-21(5)6)47-32(53)27(16-20(3)4)45-30(51)25(43-23(8)49)12-10-14-41-35(38)39/h18-22,24-28H,9-17H2,1-8H3,(H,42,52)(H,43,49)(H,44,50)(H,45,51)(H,46,54)(H,47,53)(H4,36,37,40)(H4,38,39,41)/t22-,24-,25-,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human serum C2-mediated lysis of antibody-sensitized sheep red blood cells after 30 mins by UV-Vis spectrophotometric method


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