BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 9 hits from David Geffen School of Medicine at University of California   
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
Fucosyltransferase 5


(Homo sapiens)
BDBM50366926
PNG
(CHEMBL609638)
Show SMILES CC1CC(OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)C(O)C(O)C1O
Show InChI InChI=1S/C17H27N5O14P2/c1-5-2-6(10(24)12(26)9(5)23)35-38(31,32)36-37(29,30)33-3-7-11(25)13(27)16(34-7)22-4-19-8-14(22)20-17(18)21-15(8)28/h4-7,9-13,16,23-27H,2-3H2,1H3,(H,29,30)(H,31,32)(H3,18,20,21,28)/t5?,6?,7-,9?,10?,11-,12?,13-,16?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.71E+4n/an/an/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Inhibition of Fucosyltransferase 5 by the compound was evaluated; Competitive inhibition


Bioorg Med Chem Lett 14: 571-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.003
BindingDB Entry DOI: 10.7270/Q2MS3TBP
More data for this
Ligand-Target Pair
Fucosyltransferase 5


(Homo sapiens)
BDBM50366925
PNG
(CHEMBL610712)
Show SMILES CC1OC(CP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)C(O)C(O)C1O
Show InChI InChI=1S/C17H27N5O14P2/c1-5-9(23)12(26)11(25)7(34-5)3-37(29,30)36-38(31,32)33-2-6-10(24)13(27)16(35-6)22-4-19-8-14(22)20-17(18)21-15(8)28/h4-7,9-13,16,23-27H,2-3H2,1H3,(H,29,30)(H,31,32)(H3,18,20,21,28)/t5?,6-,7?,9?,10-,11?,12?,13-,16?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.89E+5n/an/an/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Inhibition of Fucosyltransferase 5 by the compound was evaluated; Weak competitive inhibition


Bioorg Med Chem Lett 14: 571-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.003
BindingDB Entry DOI: 10.7270/Q2MS3TBP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173288
PNG
(4-(5-Fluoromethyl-3-phenyl-isoxazol-4-yl)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CF)onc1-c1ccccc1
Show InChI InChI=1S/C16H13FN2O3S/c17-10-14-15(11-6-8-13(9-7-11)23(18,20)21)16(19-22-14)12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173290
PNG
(4-[5-(2-Fluoro-ethyl)-3-phenyl-isoxazol-4-yl]-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CCF)onc1-c1ccccc1
Show InChI InChI=1S/C17H15FN2O3S/c18-11-10-15-16(12-6-8-14(9-7-12)24(19,21)22)17(20-23-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50173288
PNG
(4-(5-Fluoromethyl-3-phenyl-isoxazol-4-yl)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CF)onc1-c1ccccc1
Show InChI InChI=1S/C16H13FN2O3S/c17-10-14-15(11-6-8-13(9-7-11)23(18,20)21)16(19-22-14)12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant cyclooxygenase 2


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173287
PNG
(4-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]-ben...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-15(11-4-8-14(9-5-11)23(18,20)21)16(19-22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173289
PNG
(2-Fluoro-4-(5-methyl-3-phenyl-isoxazol-4-yl)-benze...)
Show SMILES Cc1onc(c1-c1ccc(c(F)c1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-15(16(19-22-10)11-5-3-2-4-6-11)12-7-8-14(13(17)9-12)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant cyclooxygenase 2


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50173290
PNG
(4-[5-(2-Fluoro-ethyl)-3-phenyl-isoxazol-4-yl]-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CCF)onc1-c1ccccc1
Show InChI InChI=1S/C17H15FN2O3S/c18-11-10-15-16(12-6-8-14(9-7-12)24(19,21)22)17(20-23-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant cyclooxygenase 2


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair