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Compile Data Set for Download or QSAR

Found 2 hits of kd for UniProtKB: P04406   
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
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM50216861
PNG
(2,5-dihydroxy-3-(7-(3-methylbut-2-enyl)-1H-indol-3...)
Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)C(=O)C1=O |(10.47,-14.93,;9.15,-15.73,;9.19,-17.27,;7.8,-15,;6.48,-15.8,;6.54,-17.34,;8.04,-17.62,;8.56,-19.08,;7.56,-20.24,;6.05,-19.96,;4.83,-20.89,;3.56,-20.01,;4,-18.54,;5.54,-18.5,;4.86,-22.43,;6.18,-23.23,;7.53,-22.49,;6.15,-24.77,;7.46,-25.57,;4.8,-25.5,;4.76,-27.04,;5.94,-28.02,;5.37,-29.44,;3.84,-29.34,;2.75,-30.41,;1.27,-30,;.89,-28.51,;1.99,-27.44,;3.47,-27.85,;7.48,-28.01,;7.49,-29.55,;7.46,-26.47,;9.01,-27.99,;9.8,-29.31,;3.48,-24.72,;2.13,-25.46,;3.51,-23.18,;2.19,-22.39,)|
Show InChI InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,24-25,33-34H,1,15H2,2-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.20E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to GAPDH in human erythrocytes


J Med Chem 50: 3423-6 (2007)


Article DOI: 10.1021/jm070437i
BindingDB Entry DOI: 10.7270/Q2TT4RS8
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM50216862
PNG
(CHEMBL243788 | N-(3-(2,5-dihydroxy-4-(7-(3-methylb...)
Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c(C)[nH]c3ccc(NC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC45)cc23)C(=O)C1=O |(26.44,-.89,;24.97,-1.34,;24.62,-2.84,;23.85,-.28,;22.37,-.73,;22.02,-2.23,;23.13,-3.27,;22.78,-4.77,;21.31,-5.21,;20.2,-4.16,;18.67,-4.28,;18.08,-2.86,;19.25,-1.86,;20.56,-2.67,;17.86,-5.59,;18.6,-6.95,;20.14,-6.99,;17.79,-8.26,;18.52,-9.62,;16.25,-8.22,;15.44,-9.53,;16.42,-10.73,;17.96,-10.65,;15.58,-12.03,;14.08,-11.63,;12.79,-12.47,;11.42,-11.77,;11.34,-10.23,;9.97,-9.53,;8.63,-10.28,;8.61,-11.82,;7.3,-9.5,;7.32,-7.96,;8.66,-7.2,;8.68,-5.66,;10.02,-4.91,;10.04,-3.37,;11.38,-2.61,;12.7,-3.4,;11.39,-1.07,;12.74,-.32,;12.75,1.22,;14.1,1.98,;15.42,1.19,;15.56,-.34,;17.07,-.67,;17.84,.66,;19.25,1.26,;19.11,2.79,;20.27,3.8,;17.62,3.13,;16.83,1.81,;12.63,-9.39,;14,-10.08,;15.52,-6.87,;13.98,-6.83,;16.32,-5.56,;15.58,-4.21,)|
Show InChI InChI=1S/C44H50N6O7S/c1-23(2)15-16-25-10-9-11-27-29(21-46-38(25)27)36-40(53)42(55)37(43(56)41(36)54)35-24(3)47-30-18-17-26(20-28(30)35)48-34(52)14-5-4-8-19-45-33(51)13-7-6-12-32-39-31(22-58-32)49-44(57)50-39/h9-11,15,17-18,20-21,31-32,36-37,39,46-47H,4-8,12-14,16,19,22H2,1-3H3,(H,45,51)(H,48,52)(H2,49,50,57)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.50E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to GAPDH in human erythrocytes


J Med Chem 50: 3423-6 (2007)


Article DOI: 10.1021/jm070437i
BindingDB Entry DOI: 10.7270/Q2TT4RS8
More data for this
Ligand-Target Pair