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PubMed code 15664518

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Calmodulin-1


(Human)
BDBM59169
PNG
(BT1)
Show SMILES COC(=O)[C@@H](CC(=O)c1cccc(c1)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H32N2O6/c1-41-33(39)23(15-25-19-35-29-12-5-3-10-27(25)29)17-31(37)21-8-7-9-22(14-21)32(38)18-24(34(40)42-2)16-26-20-36-30-13-6-4-11-28(26)30/h3-14,19-20,23-24,35-36H,15-18H2,1-2H3/t23-,24-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM59170
PNG
(BT2)
Show SMILES COC(=O)[C@@H](CC(=O)Cc1ccc(\C=C\c2ccc(CC(=O)C[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2)cc1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C44H42N2O6/c1-51-43(49)33(23-35-27-45-41-9-5-3-7-39(35)41)25-37(47)21-31-17-13-29(14-18-31)11-12-30-15-19-32(20-16-30)22-38(48)26-34(44(50)52-2)24-36-28-46-42-10-6-4-8-40(36)42/h3-20,27-28,33-34,45-46H,21-26H2,1-2H3/b12-11+/t33-,34-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM59171
PNG
(BN1)
Show SMILES O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O4S2/c29-33(30,25-13-5-9-19-7-1-3-11-23(19)25)27-21-15-17-22(18-16-21)28-34(31,32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 70n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM59172
PNG
(BN2)
Show SMILES O=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O4S2/c29-33(30,25-16-5-10-19-8-1-3-14-23(19)25)27-21-12-7-13-22(18-21)28-34(31,32)26-17-6-11-20-9-2-4-15-24(20)26/h1-18,27-28H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 10n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%