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Compile Data Set for Download or QSAR

Found 322 hits with Last Name = 'kho' and Initial = 'r'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222985
PNG
(3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihy...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
Show InChI InChI=1S/C25H29FN4O2/c1-4-19-24(28-20(5-2)25(29-19)32-22-14-16(3)10-12-27-22)30-23-18-9-7-6-8-17(18)15-21(23)31-13-11-26/h6-10,12,14,21,23H,4-5,11,13,15H2,1-3H3,(H,28,30)/t21-,23+/m0/s1
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222980
PNG
(3,6-diethyl-N-((1R,2S)-2-isopropoxy-2,3-dihydro-1H...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC(C)C
Show InChI InChI=1S/C26H32N4O2/c1-6-20-25(28-21(7-2)26(29-20)32-23-14-17(5)12-13-27-23)30-24-19-11-9-8-10-18(19)15-22(24)31-16(3)4/h8-14,16,22,24H,6-7,15H2,1-5H3,(H,28,30)/t22-,24+/m0/s1
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223023
PNG
(5-(4,6-dimethylpyridin-2-yloxy)-N-((1R,2S)-2-ethox...)
Show SMILES CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC
Show InChI InChI=1S/C26H32N4O2/c1-6-20-25(30-24-19-12-10-9-11-18(19)15-22(24)31-8-3)28-21(7-2)26(29-20)32-23-14-16(4)13-17(5)27-23/h9-14,22,24H,6-8,15H2,1-5H3,(H,28,30)/t22-,24+/m0/s1
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Dihydrodipicolinate reductase (DHPR)


(Escherichia coli)
BDBM59098
PNG
(Bi-ligand, 1)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-
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26n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223004
PNG
(3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N-((1R,2S)...)
Show SMILES CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
Show InChI InChI=1S/C26H32N4O2/c1-5-14-31-22-16-18-10-8-9-11-19(18)24(22)30-25-20(6-2)29-26(21(7-3)28-25)32-23-15-17(4)12-13-27-23/h8-13,15,22,24H,5-7,14,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223002
PNG
(CHEMBL250282 | N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-...)
Show SMILES CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
Show InChI InChI=1S/C25H30N4O2/c1-5-19-24(29-23-18-11-9-8-10-17(18)15-21(23)30-7-3)27-20(6-2)25(28-19)31-22-14-16(4)12-13-26-22/h8-14,21,23H,5-7,15H2,1-4H3,(H,27,29)/t21-,23+/m0/s1
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35n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
D-lactate dehydrogenase


(Escherichia coli)
BDBM59099
PNG
(Bi-ligand, 2)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O
Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-
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42n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002865
PNG
(CHEMBL230730)
Show SMILES COc1ccc(cc1)C(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C42H39N3O5/c1-29-38(45-42(50-29)33-13-7-4-8-14-33)25-26-49-36-21-17-30(18-22-36)27-34(28-43-41(47)32-19-23-35(48-2)24-20-32)44-39-16-10-9-15-37(39)40(46)31-11-5-3-6-12-31/h3-24,34,44H,25-28H2,1-2H3,(H,43,47)/t34-/m0/s1
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48n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223033
PNG
(3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihy...)
Show SMILES CCc1nc(Oc2cc(C)ncn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
Show InChI InChI=1S/C24H28FN5O2/c1-4-18-23(28-19(5-2)24(29-18)32-21-12-15(3)26-14-27-21)30-22-17-9-7-6-8-16(17)13-20(22)31-11-10-25/h6-9,12,14,20,22H,4-5,10-11,13H2,1-3H3,(H,28,30)/t20-,22+/m0/s1
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51n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002864
PNG
(CHEMBL398183)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCCNC2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C40H42N4O4/c1-28-36(44-40(48-28)31-13-6-3-7-14-31)22-24-47-34-20-18-29(19-21-34)25-33(27-42-39(46)32-15-10-23-41-26-32)43-37-17-9-8-16-35(37)38(45)30-11-4-2-5-12-30/h2-9,11-14,16-21,32-33,41,43H,10,15,22-27H2,1H3,(H,42,46)/t32?,33-/m0/s1
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51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223020
PNG
(CHEMBL250814 | N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-...)
Show SMILES CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC
Show InChI InChI=1S/C26H32N4O2/c1-5-17-13-14-27-23(15-17)32-26-21(7-3)28-25(20(6-2)29-26)30-24-19-12-10-9-11-18(19)16-22(24)31-8-4/h9-15,22,24H,5-8,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1
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53n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50423009
PNG
(CHEMBL230731)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)C2CC2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H37N3O4/c1-26-34(41-38(45-26)30-12-6-3-7-13-30)22-23-44-32-20-16-27(17-21-32)24-31(25-39-37(43)29-18-19-29)40-35-15-9-8-14-33(35)36(42)28-10-4-2-5-11-28/h2-17,20-21,29,31,40H,18-19,22-25H2,1H3,(H,39,43)/t31-/m0/s1
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55n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223030
PNG
(5-(4,6-dimethylpyridin-2-yloxy)-3,6-diethyl-N-((1R...)
Show SMILES CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC
Show InChI InChI=1S/C27H34N4O2/c1-6-13-32-23-16-19-11-9-10-12-20(19)25(23)31-26-21(7-2)30-27(22(8-3)29-26)33-24-15-17(4)14-18(5)28-24/h9-12,14-15,23,25H,6-8,13,16H2,1-5H3,(H,29,31)/t23-,25+/m0/s1
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58n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223015
PNG
(3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N-(1-pheny...)
Show SMILES CCC(Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1 |w:2.2|
Show InChI InChI=1S/C23H28N4O/c1-5-18(17-11-9-8-10-12-17)25-22-19(6-2)27-23(20(7-3)26-22)28-21-15-16(4)13-14-24-21/h8-15,18H,5-7H2,1-4H3,(H,25,26)
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59n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002863
PNG
(CHEMBL230732)
Show SMILES CCCCCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C41H45N3O4/c1-3-4-5-12-21-39(45)42-29-34(43-38-20-14-13-19-36(38)40(46)32-15-8-6-9-16-32)28-31-22-24-35(25-23-31)47-27-26-37-30(2)48-41(44-37)33-17-10-7-11-18-33/h6-11,13-20,22-25,34,43H,3-5,12,21,26-29H2,1-2H3,(H,42,45)/t34-/m0/s1
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62n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222977
PNG
(CHEMBL250815 | N-((1R,2S)-2-(cyclopentyloxy)-2,3-d...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC1CCCC1
Show InChI InChI=1S/C28H34N4O2/c1-4-22-27(30-23(5-2)28(31-22)34-25-16-18(3)14-15-29-25)32-26-21-13-9-6-10-19(21)17-24(26)33-20-11-7-8-12-20/h6,9-10,13-16,20,24,26H,4-5,7-8,11-12,17H2,1-3H3,(H,30,32)/t24-,26+/m0/s1
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67n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223017
PNG
(2-((1R,2S)-1-(3,6-diethyl-5-(4-methylpyridin-2-ylo...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCO
Show InChI InChI=1S/C25H30N4O3/c1-4-19-24(27-20(5-2)25(28-19)32-22-14-16(3)10-11-26-22)29-23-18-9-7-6-8-17(18)15-21(23)31-13-12-30/h6-11,14,21,23,30H,4-5,12-13,15H2,1-3H3,(H,27,29)/t21-,23+/m0/s1
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82n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50423013
PNG
(CHEMBL395527)
Show SMILES CCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C38H39N3O4/c1-3-12-36(42)39-26-31(40-35-18-11-10-17-33(35)37(43)29-13-6-4-7-14-29)25-28-19-21-32(22-20-28)44-24-23-34-27(2)45-38(41-34)30-15-8-5-9-16-30/h4-11,13-22,31,40H,3,12,23-26H2,1-2H3,(H,39,42)/t31-/m0/s1
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87n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50423011
PNG
(CHEMBL267996)
Show SMILES CN(C)CCOc1cccc(c1)C(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C45H46N4O5/c1-32-41(48-45(54-32)35-15-8-5-9-16-35)25-27-52-38-23-21-33(22-24-38)29-37(31-46-44(51)36-17-12-18-39(30-36)53-28-26-49(2)3)47-42-20-11-10-19-40(42)43(50)34-13-6-4-7-14-34/h4-24,30,37,47H,25-29,31H2,1-3H3,(H,46,51)/t37-/m0/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Dihydrodipicolinate reductase (DHPR)


(Escherichia coli)
BDBM59101
PNG
(Bi-ligand, 4)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-
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100n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002862
PNG
(CHEMBL396220)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2cccc(CO)c2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C44H42N4O6/c1-30-39(48-44(54-30)34-14-6-3-7-15-34)23-24-53-37-21-19-31(20-22-37)26-36(27-45-41(50)28-46-43(52)35-16-10-11-32(25-35)29-49)47-40-18-9-8-17-38(40)42(51)33-12-4-2-5-13-33/h2-22,25,36,47,49H,23-24,26-29H2,1H3,(H,45,50)(H,46,52)/t36-/m0/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002860
PNG
(CHEMBL231656)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CO)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C36H35N3O5/c1-25-32(39-36(44-25)28-12-6-3-7-13-28)20-21-43-30-18-16-26(17-19-30)22-29(23-37-34(41)24-40)38-33-15-9-8-14-31(33)35(42)27-10-4-2-5-11-27/h2-19,29,38,40H,20-24H2,1H3,(H,37,41)/t29-/m0/s1
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112n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223028
PNG
(CHEMBL250616 | N2-(3,5-dichloropyridin-2-yl)-3,6-d...)
Show SMILES CCC(CC)Nc1nc(CC)c(Nc2ncc(Cl)cc2Cl)nc1CC
Show InChI InChI=1S/C18H25Cl2N5/c1-5-12(6-2)22-17-14(7-3)24-18(15(8-4)23-17)25-16-13(20)9-11(19)10-21-16/h9-10,12H,5-8H2,1-4H3,(H,22,23)(H,21,24,25)
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115n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002868
PNG
(CHEMBL230523)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)c2ccccc2C(O)=O)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C42H37N3O6/c1-28-37(45-41(51-28)31-14-6-3-7-15-31)24-25-50-33-22-20-29(21-23-33)26-32(27-43-40(47)34-16-8-9-17-35(34)42(48)49)44-38-19-11-10-18-36(38)39(46)30-12-4-2-5-13-30/h2-23,32,44H,24-27H2,1H3,(H,43,47)(H,48,49)/t32-/m0/s1
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115n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50423010
PNG
(CHEMBL230259)
Show SMILES CC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C36H35N3O4/c1-25-33(39-36(43-25)29-13-7-4-8-14-29)21-22-42-31-19-17-27(18-20-31)23-30(24-37-26(2)40)38-34-16-10-9-15-32(34)35(41)28-11-5-3-6-12-28/h3-20,30,38H,21-24H2,1-2H3,(H,37,40)/t30-/m0/s1
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138n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002858
PNG
(CHEMBL230524)
Show SMILES CC(CC(C)C(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C41H43N3O6/c1-27(24-28(2)41(47)48)39(46)42-26-33(43-37-17-11-10-16-35(37)38(45)31-12-6-4-7-13-31)25-30-18-20-34(21-19-30)49-23-22-36-29(3)50-40(44-36)32-14-8-5-9-15-32/h4-21,27-28,33,43H,22-26H2,1-3H3,(H,42,46)(H,47,48)/t27?,28?,33-/m0/s1
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145n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002859
PNG
(CHEMBL396480)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)c2ccc(CO)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C42H39N3O5/c1-29-38(45-42(50-29)34-12-6-3-7-13-34)24-25-49-36-22-18-30(19-23-36)26-35(27-43-41(48)33-20-16-31(28-46)17-21-33)44-39-15-9-8-14-37(39)40(47)32-10-4-2-5-11-32/h2-23,35,44,46H,24-28H2,1H3,(H,43,48)/t35-/m0/s1
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002866
PNG
(CHEMBL266741)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNc2ccccn2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C39H36N4O3/c1-28-35(43-39(46-28)31-14-6-3-7-15-31)23-25-45-33-21-19-29(20-22-33)26-32(27-41-37-18-10-11-24-40-37)42-36-17-9-8-16-34(36)38(44)30-12-4-2-5-13-30/h2-22,24,32,42H,23,25-27H2,1H3,(H,40,41)/t32-/m0/s1
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166n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002867
PNG
(CHEMBL396481)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2ccc(O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C43H40N4O6/c1-29-38(47-43(53-29)33-12-6-3-7-13-33)24-25-52-36-22-16-30(17-23-36)26-34(27-44-40(49)28-45-42(51)32-18-20-35(48)21-19-32)46-39-15-9-8-14-37(39)41(50)31-10-4-2-5-11-31/h2-23,34,46,48H,24-28H2,1H3,(H,44,49)(H,45,51)/t34-/m0/s1
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174n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50423012
PNG
(CHEMBL266742)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)COc2cccc(N)c2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C42H40N4O5/c1-29-38(46-42(51-29)32-13-6-3-7-14-32)23-24-49-35-21-19-30(20-22-35)25-34(27-44-40(47)28-50-36-16-10-15-33(43)26-36)45-39-18-9-8-17-37(39)41(48)31-11-4-2-5-12-31/h2-22,26,34,45H,23-25,27-28,43H2,1H3,(H,44,47)/t34-/m0/s1
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191n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002869
PNG
(CHEMBL230522)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(CN)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1 |wU:14.28,(-1.42,-12.31,;-2.65,-13.24,;-4.13,-12.79,;-5.02,-14.06,;-4.08,-15.28,;-2.62,-14.78,;-1.29,-15.55,;.04,-14.78,;1.37,-15.55,;2.71,-14.78,;4.04,-15.56,;5.37,-14.79,;5.38,-13.25,;6.71,-12.48,;8.04,-13.25,;9.38,-12.48,;10.71,-13.25,;12.05,-12.48,;12.05,-10.94,;13.38,-13.25,;13.37,-14.78,;14.7,-15.56,;16.04,-14.79,;17.37,-15.57,;17.36,-17.11,;16.05,-13.25,;14.71,-12.48,;8.05,-14.79,;9.38,-15.56,;10.71,-14.78,;12.04,-15.55,;12.04,-17.1,;10.71,-17.87,;9.38,-17.1,;8.05,-17.87,;6.71,-17.1,;8.04,-19.41,;6.71,-20.17,;6.7,-21.71,;8.04,-22.48,;9.38,-21.7,;9.37,-20.17,;4.04,-12.47,;2.71,-13.25,;-6.56,-14.08,;-7.34,-12.77,;-8.88,-12.79,;-9.64,-14.13,;-8.85,-15.46,;-7.3,-15.43,)|
Show InChI InChI=1S/C42H46N4O4/c1-29-38(46-42(50-29)34-12-6-3-7-13-34)24-25-49-36-22-18-30(19-23-36)26-35(28-44-41(48)33-20-16-31(27-43)17-21-33)45-39-15-9-8-14-37(39)40(47)32-10-4-2-5-11-32/h2-15,18-19,22-23,31,33,35,45H,16-17,20-21,24-28,43H2,1H3,(H,44,48)/t31?,33?,35-/m0/s1
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195n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59100
PNG
(Bi-ligand, 3)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-
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202n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222986
PNG
(CHEMBL398843 | N-((1R,2S)-2-cyclopropoxy-2,3-dihyd...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC1CC1
Show InChI InChI=1S/C26H30N4O2/c1-4-20-25(28-21(5-2)26(29-20)32-23-14-16(3)12-13-27-23)30-24-19-9-7-6-8-17(19)15-22(24)31-18-10-11-18/h6-9,12-14,18,22,24H,4-5,10-11,15H2,1-3H3,(H,28,30)/t22-,24+/m0/s1
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214n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222975
PNG
(3,6-diethyl-N-((1R,2S)-2-methoxy-2,3-dihydro-1H-in...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC
Show InChI InChI=1S/C24H28N4O2/c1-5-18-23(28-22-17-10-8-7-9-16(17)14-20(22)29-4)26-19(6-2)24(27-18)30-21-13-15(3)11-12-25-21/h7-13,20,22H,5-6,14H2,1-4H3,(H,26,28)/t20-,22+/m0/s1
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222n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50423008
PNG
(CHEMBL230804)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CCc2ccc(SC(C)(C)C(O)=O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C47H47N3O6S/c1-32-41(50-45(56-32)36-14-8-5-9-15-36)28-29-55-38-23-18-34(19-24-38)30-37(49-42-17-11-10-16-40(42)44(52)35-12-6-4-7-13-35)31-48-43(51)27-22-33-20-25-39(26-21-33)57-47(2,3)46(53)54/h4-21,23-26,37,49H,22,27-31H2,1-3H3,(H,48,51)(H,53,54)/t37-/m0/s1
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222979
PNG
(3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N-(1-pheny...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(C)c1ccccc1 |w:19.21|
Show InChI InChI=1S/C22H26N4O/c1-5-18-21(24-16(4)17-10-8-7-9-11-17)25-19(6-2)22(26-18)27-20-14-15(3)12-13-23-20/h7-14,16H,5-6H2,1-4H3,(H,24,25)
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251n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222991
PNG
(3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihy...)
Show SMILES CCc1nc(Oc2ccccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
Show InChI InChI=1S/C24H27FN4O2/c1-3-18-23(27-19(4-2)24(28-18)31-21-11-7-8-13-26-21)29-22-17-10-6-5-9-16(17)15-20(22)30-14-12-25/h5-11,13,20,22H,3-4,12,14-15H2,1-2H3,(H,27,29)/t20-,22+/m0/s1
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266n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002870
PNG
(CHEMBL266985)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CCC(O)=O)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H37N3O6/c1-26-33(41-38(47-26)29-12-6-3-7-13-29)22-23-46-31-18-16-27(17-19-31)24-30(25-39-35(42)20-21-36(43)44)40-34-15-9-8-14-32(34)37(45)28-10-4-2-5-11-28/h2-19,30,40H,20-25H2,1H3,(H,39,42)(H,43,44)/t30-/m0/s1
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269n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50002871
PNG
(CHEMBL396987)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(O)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1 |wU:14.27,(2.33,-4.31,;1.09,-5.24,;-.38,-4.78,;-1.27,-6.05,;-.34,-7.28,;1.12,-6.78,;2.44,-7.56,;3.79,-6.81,;5.11,-7.6,;6.45,-6.84,;7.77,-7.63,;9.12,-6.88,;9.14,-5.34,;10.48,-4.58,;11.8,-5.37,;13.15,-4.61,;14.47,-5.4,;15.81,-4.64,;15.83,-3.1,;17.14,-5.43,;17.11,-6.96,;18.43,-7.75,;19.78,-7,;21.1,-7.79,;19.8,-5.46,;18.47,-4.66,;11.79,-6.91,;13.11,-7.69,;14.45,-6.93,;15.77,-7.71,;15.76,-9.26,;14.42,-10.01,;13.09,-9.23,;11.75,-9.98,;10.42,-9.2,;11.73,-11.52,;10.39,-12.27,;10.37,-13.81,;11.69,-14.6,;13.04,-13.84,;13.05,-12.3,;7.8,-4.55,;6.47,-5.31,;-2.81,-6.07,;-3.6,-4.75,;-5.14,-4.77,;-5.89,-6.12,;-5.11,-7.44,;-3.56,-7.42,)|
Show InChI InChI=1S/C41H43N3O5/c1-28-37(44-41(49-28)32-12-6-3-7-13-32)24-25-48-35-22-16-29(17-23-35)26-33(27-42-40(47)31-18-20-34(45)21-19-31)43-38-15-9-8-14-36(38)39(46)30-10-4-2-5-11-30/h2-17,22-23,31,33-34,43,45H,18-21,24-27H2,1H3,(H,42,47)/t31?,33-,34?/m0/s1
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309n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222998
PNG
(3,6-diethyl-N-(2-isopropoxy-1-phenylethyl)-5-(4-me...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(COC(C)C)c1ccccc1 |w:19.20|
Show InChI InChI=1S/C25H32N4O2/c1-6-20-24(28-22(16-30-17(3)4)19-11-9-8-10-12-19)27-21(7-2)25(29-20)31-23-15-18(5)13-14-26-23/h8-15,17,22H,6-7,16H2,1-5H3,(H,27,28)
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337n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223007
PNG
(CHEMBL250618 | N-(2-ethoxy-1-phenylethyl)-3,6-diet...)
Show SMILES CCOCC(Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1 |w:4.4|
Show InChI InChI=1S/C24H30N4O2/c1-5-19-23(27-21(16-29-7-3)18-11-9-8-10-12-18)26-20(6-2)24(28-19)30-22-15-17(4)13-14-25-22/h8-15,21H,5-7,16H2,1-4H3,(H,26,27)
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384n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222978
PNG
(3,6-dimethyl-5-(4-methylpyridin-2-yloxy)-N-(pentan...)
Show SMILES CCC(CC)Nc1nc(C)c(Oc2cc(C)ccn2)nc1C
Show InChI InChI=1S/C17H24N4O/c1-6-14(7-2)21-16-12(4)20-17(13(5)19-16)22-15-10-11(3)8-9-18-15/h8-10,14H,6-7H2,1-5H3,(H,19,21)
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401n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223035
PNG
(CHEMBL251199 | N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-...)
Show SMILES CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)c2)nc1CC
Show InChI InChI=1S/C26H31N3O2/c1-5-21-25(29-24-20-14-9-8-12-18(20)16-23(24)30-7-3)27-22(6-2)26(28-21)31-19-13-10-11-17(4)15-19/h8-15,23-24H,5-7,16H2,1-4H3,(H,27,29)/t23-,24+/m0/s1
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436n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223032
PNG
(CHEMBL402717 | N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-...)
Show SMILES CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ccc(C)cn2)nc1CC
Show InChI InChI=1S/C25H30N4O2/c1-5-19-24(29-23-18-11-9-8-10-17(18)14-21(23)30-7-3)27-20(6-2)25(28-19)31-22-13-12-16(4)15-26-22/h8-13,15,21,23H,5-7,14H2,1-4H3,(H,27,29)/t21-,23+/m0/s1
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456n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223027
PNG
(CHEMBL430019 | N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-...)
Show SMILES CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)n2)nc1CC
Show InChI InChI=1S/C25H30N4O2/c1-5-19-24(29-23-18-13-9-8-12-17(18)15-21(23)30-7-3)27-20(6-2)25(28-19)31-22-14-10-11-16(4)26-22/h8-14,21,23H,5-7,15H2,1-4H3,(H,27,29)/t21-,23+/m0/s1
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472n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223010
PNG
(CHEMBL400156 | N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-...)
Show SMILES CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ncccc2C)nc1CC
Show InChI InChI=1S/C25H30N4O2/c1-5-19-23(29-22-18-13-9-8-12-17(18)15-21(22)30-7-3)27-20(6-2)25(28-19)31-24-16(4)11-10-14-26-24/h8-14,21-22H,5-7,15H2,1-4H3,(H,27,29)/t21-,22+/m0/s1
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509n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50223005
PNG
(3,6-diethyl-N-(2-methyl-1-phenylpropyl)-5-(4-methy...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(C(C)C)c1ccccc1 |w:19.20|
Show InChI InChI=1S/C24H30N4O/c1-6-19-23(28-22(16(3)4)18-11-9-8-10-12-18)26-20(7-2)24(27-19)29-21-15-17(5)13-14-25-21/h8-16,22H,6-7H2,1-5H3,(H,26,28)
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530n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
D-lactate dehydrogenase


(Escherichia coli)
BDBM59101
PNG
(Bi-ligand, 4)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-
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620n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222982
PNG
(3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N,N-diprop...)
Show SMILES CCCN(CCC)c1nc(CC)c(Oc2cc(C)ccn2)nc1CC
Show InChI InChI=1S/C20H30N4O/c1-6-12-24(13-7-2)19-16(8-3)23-20(17(9-4)22-19)25-18-14-15(5)10-11-21-18/h10-11,14H,6-9,12-13H2,1-5H3
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711n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells


Bioorg Med Chem Lett 17: 6250-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.008
BindingDB Entry DOI: 10.7270/Q2F76C8G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50423007
PNG
(CHEMBL398185)
Show SMILES CC(CC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C39H39N3O6/c1-26(39(45)46)23-36(43)40-25-31(41-35-16-10-9-15-33(35)37(44)29-11-5-3-6-12-29)24-28-17-19-32(20-18-28)47-22-21-34-27(2)48-38(42-34)30-13-7-4-8-14-30/h3-20,26,31,41H,21-25H2,1-2H3,(H,40,43)(H,45,46)/t26?,31-/m0/s1
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912n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair
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