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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'christie' and Initial = 'lc'   
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
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to rat pituitary GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194976
PNG
((S)-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194957
PNG
(2-((6-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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7n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194955
PNG
(2-((6-(2-(2-(3-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-2-5-18(24)12-17)8-11-29-20-7-6-16(14-25-20)13-23(22(27)28)9-3-10-30-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,27,28)
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11n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194968
PNG
(3-(6-(4-(3-chlorophenoxy)-2-methylphenethoxy)pyrid...)
Show SMILES COC(Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO5/c1-16-12-21(31-20-5-3-4-19(25)14-20)8-7-18(16)10-11-30-23-9-6-17(15-26-23)13-22(29-2)24(27)28/h3-9,12,14-15,22H,10-11,13H2,1-2H3,(H,27,28)
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15n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194971
PNG
(2-((6-(2-(5-methyl-2-(3-(trifluoromethyl)phenyl)ox...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-15-19(29-21(34-15)17-4-2-5-18(12-17)24(25,26)27)8-11-32-20-7-6-16(14-28-20)13-23(22(30)31)9-3-10-33-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,30,31)
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15n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194961
PNG
(2-((6-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(C)c1
Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-19(13-16)22-26-20(17(2)31-22)9-12-29-21-8-7-18(15-25-21)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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16n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194950
PNG
(2-((6-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-7-19(29-2)8-6-18)10-13-30-21-9-4-17(15-25-21)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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17n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194974
PNG
(2-((6-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H26N2O5/c1-16-4-7-19(8-5-16)22-26-20(17(2)31-22)10-13-29-21-9-6-18(15-25-21)14-24(23(27)28)11-3-12-30-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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23n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194967
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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38n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194969
PNG
(2-((6-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-6-18(24)7-5-17)9-12-29-20-8-3-16(14-25-20)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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52n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194963
PNG
(2-methoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-14-17(23-20(28-14)16-6-4-3-5-7-16)10-11-27-19-9-8-15(13-22-19)12-18(26-2)21(24)25/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)
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63n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194952
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)11-14-29-21-10-9-18(16-25-21)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
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81n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194970
PNG
(2-((6-(2-(5-methyl-2-(4-(trifluoromethyl)phenyl)ox...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-15-19(29-21(34-15)17-4-6-18(7-5-17)24(25,26)27)9-12-32-20-8-3-16(14-28-20)13-23(22(30)31)10-2-11-33-23/h3-8,14H,2,9-13H2,1H3,(H,30,31)
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94n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194953
PNG
(2-ethoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-3-27-19(22(25)26)13-16-9-10-20(23-14-16)28-12-11-18-15(2)29-21(24-18)17-7-5-4-6-8-17/h4-10,14,19H,3,11-13H2,1-2H3,(H,25,26)
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150n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194977
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES CCCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4/c1-3-7-19(23(26)27)14-17-10-11-21(24-15-17)28-13-12-20-16(2)29-22(25-20)18-8-5-4-6-9-18/h4-6,8-11,15,19H,3,7,12-14H2,1-2H3,(H,26,27)
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240n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194965
PNG
((S)-2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenylo...)
Show SMILES CO[C@@](C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-18(24-20(29-15)17-7-5-4-6-8-17)11-12-28-19-10-9-16(14-23-19)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)/t22-/m0/s1
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270n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194973
PNG
(2-((6-(2-(2-(4-cyanophenyl)-5-methyloxazol-4-yl)et...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23N3O5/c1-16-20(27-22(32-16)19-6-3-17(14-25)4-7-19)9-12-30-21-8-5-18(15-26-21)13-24(23(28)29)10-2-11-31-24/h3-8,15H,2,9-13H2,1H3,(H,28,29)
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334n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194956
PNG
(4-methyl-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES CC(C)CC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C24H28N2O4/c1-16(2)13-20(24(27)28)14-18-9-10-22(25-15-18)29-12-11-21-17(3)30-23(26-21)19-7-5-4-6-8-19/h4-10,15-16,20H,11-14H2,1-3H3,(H,27,28)
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360n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194960
PNG
(1-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCC2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-16-19(25-21(29-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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394n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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440n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194975
PNG
(2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazo...)
Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-18(24-20(29-15)17-7-5-4-6-8-17)11-12-28-19-10-9-16(14-23-19)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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560n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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583n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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628n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human A3 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194958
PNG
(2-((6-(3-(5-methyl-2-phenyloxazol-4-yl)propoxy)pyr...)
Show SMILES Cc1oc(nc1CCCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)9-5-13-29-21-11-10-18(16-25-21)15-24(23(27)28)12-6-14-30-24/h2-4,7-8,10-11,16H,5-6,9,12-15H2,1H3,(H,27,28)
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810n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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964n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.06E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to PAF


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194954
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O4/c1-3-17(22(25)26)13-16-9-10-20(23-14-16)27-12-11-19-15(2)28-21(24-19)18-7-5-4-6-8-18/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,26)
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.18E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human D3 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.22E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to H2 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.25E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human NK1 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human mu opiate receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.43E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT transporter


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.62E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human D1 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.75E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human DA transporter


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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1.96E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to kappa opiate receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194951
PNG
(2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C21H22N2O4/c1-14(21(24)25)12-16-8-9-19(22-13-16)26-11-10-18-15(2)27-20(23-18)17-6-4-3-5-7-17/h3-9,13-14H,10-12H2,1-2H3,(H,24,25)
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2.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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2.51E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human D4.4 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194962
PNG
(1-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCC2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O4/c1-18-21(27-23(31-18)20-8-4-2-5-9-20)12-15-30-22-11-10-19(17-26-22)16-25(24(28)29)13-6-3-7-14-25/h2,4-5,8-11,17H,3,6-7,12-16H2,1H3,(H,28,29)
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3.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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3.68E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human M4 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a)/1b (AT-1b) receptor


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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3.71E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human AT1 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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4.12E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human M1 receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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5.09E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human NE transporter


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194959
PNG
(2,2-dimethyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(C)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-18(24-20(28-15)17-7-5-4-6-8-17)11-12-27-19-10-9-16(14-23-19)13-22(2,3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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5.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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5.24E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to verapamil site of N type calcium channel


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194972
PNG
(1-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CC2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H22N2O4/c1-15-18(24-20(28-15)17-5-3-2-4-6-17)9-12-27-19-8-7-16(14-23-19)13-22(10-11-22)21(25)26/h2-8,14H,9-13H2,1H3,(H,25,26)
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7.98E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194966
PNG
(3-methyl-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES CC(C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4/c1-15(2)19(23(26)27)13-17-9-10-21(24-14-17)28-12-11-20-16(3)29-22(25-20)18-7-5-4-6-8-18/h4-10,14-15,19H,11-13H2,1-3H3,(H,26,27)
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8.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194979
PNG
(3,3-dimethyl-2-((6-(2-(5-methyl-2-phenyloxazol-4-y...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C(O)=O)C(C)(C)C)cn1)-c1ccccc1
Show InChI InChI=1S/C24H28N2O4/c1-16-20(26-22(30-16)18-8-6-5-7-9-18)12-13-29-21-11-10-17(15-25-21)14-19(23(27)28)24(2,3)4/h5-11,15,19H,12-14H2,1-4H3,(H,27,28)
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1.20E+4n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
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