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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'foster' and Initial = 'ml'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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Article
PubMed
0.238n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM86696
PNG
(des-CIC | desisobutyryl-ciclesonide)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)C1CCCCC1 |c:13,t:9|
Show InChI InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219254
PNG
(CHEMBL347592)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.37,(10.24,-.19,;9.47,-1.52,;8.56,-.28,;7.03,-.44,;6.42,-1.85,;7.31,-3.09,;8.84,-2.94,;4.88,-2.01,;4.11,-3.34,;2.61,-3.03,;2.45,-1.5,;3.85,-.87,;1.1,-.73,;1.1,.81,;-.23,1.58,;-1.56,.81,;-1.56,-.73,;-2.89,-1.5,;-4.22,-.73,;-4.22,.81,;-5.55,1.58,;-5.55,3.1,;-4.22,3.89,;-2.89,3.1,;-2.89,1.56,;-.23,-1.5,;1.47,-4.07,;,-3.59,;-1.14,-4.62,;-.82,-6.12,;-1.96,-7.16,;.65,-6.59,;1.8,-5.56,;10.8,-2.29,;10.8,-3.83,;12.13,-1.52,;13.46,-2.31,;14.79,-1.54,;14.8,,;13.47,.77,;12.13,.02,)|
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PC cid
PC sid
UniChem
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n/an/a 5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL




Bioorg Med Chem Lett 11: 693-6 (2001)


BindingDB Entry DOI: 10.7270/Q2F191WG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219252
PNG
(CHEMBL159932)
Show SMILES COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@@](C)(CO1)C(=O)N1CCOCC1 |wU:24.26,27.30,wD:27.34,(-7.57,.44,;-6.24,-.34,;-4.9,.42,;-3.57,-.35,;-2.24,.42,;-.9,-.35,;.43,.42,;.43,1.96,;1.76,2.74,;3.12,1.96,;3.12,.42,;1.76,-.35,;4.45,-.35,;5.85,.28,;6.91,-.87,;6.13,-2.2,;4.61,-1.88,;3.47,-2.92,;3.8,-4.42,;2.65,-5.45,;1.18,-4.98,;.03,-6.02,;.85,-3.47,;2,-2.44,;8.43,-.7,;9.06,.72,;10.58,.88,;11.49,-.37,;12.26,.96,;10.86,-1.78,;9.34,-1.94,;12.82,-1.15,;12.82,-2.69,;14.15,-.37,;14.15,1.17,;15.51,1.93,;16.84,1.16,;16.82,-.38,;15.49,-1.15,)|
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PC sid
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n/an/a 7n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL




Bioorg Med Chem Lett 11: 693-6 (2001)


BindingDB Entry DOI: 10.7270/Q2F191WG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219253
PNG
(CHEMBL161197)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NC2CC2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.33,(10.32,.96,;9.56,-.37,;8.65,.88,;7.12,.72,;6.51,-.7,;7.4,-1.94,;8.93,-1.78,;4.98,-.86,;4.21,-2.19,;2.69,-1.87,;2.53,-.35,;3.94,.28,;1.2,.42,;1.2,1.96,;-.14,2.73,;-1.47,1.96,;-1.47,.42,;-2.81,-.35,;-4.14,.42,;-5.64,.02,;-4.73,1.97,;-.14,-.35,;1.55,-2.92,;1.87,-4.41,;.75,-5.43,;-.72,-4.97,;-1.87,-6,;-1.05,-3.46,;.09,-2.43,;10.89,-1.14,;10.89,-2.68,;12.22,-.37,;13.55,-1.15,;14.88,-.38,;14.89,1.16,;13.56,1.93,;12.21,1.17,)|
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n/an/a 9n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL




Bioorg Med Chem Lett 11: 693-6 (2001)


BindingDB Entry DOI: 10.7270/Q2F191WG
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus-Mus musculus (mouse))
BDBM50219251
PNG
(CHEMBL423071)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.36,(10.99,1.09,;10.19,-.24,;9.3,1.03,;7.76,.9,;7.1,-.5,;7.99,-1.76,;9.53,-1.65,;5.58,-.63,;4.85,-1.97,;3.33,-1.72,;3.12,-.17,;4.5,.49,;1.79,.59,;1.79,2.15,;.43,2.92,;-.9,2.13,;-.9,.59,;-2.24,-.21,;-3.6,.55,;-3.62,2.08,;-4.95,2.83,;-6.29,2.04,;-6.26,.51,;-4.91,-.24,;.43,-.17,;2.28,-2.84,;2.72,-4.31,;1.65,-5.43,;.17,-5.08,;-.88,-6.21,;-.27,-3.61,;.78,-2.49,;11.5,-1.04,;11.48,-2.61,;12.86,-.29,;14.19,-1.08,;15.53,-.31,;15.55,1.24,;14.22,2.03,;12.88,1.26,)|
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL




Bioorg Med Chem Lett 11: 693-6 (2001)


BindingDB Entry DOI: 10.7270/Q2F191WG
More data for this
Ligand-Target Pair