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Compile Data Set for Download or QSAR

Found 448 hits with Last Name = 'zavadoski' and Initial = 'w'   
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
Glucagon receptor


(Homo sapiens (Human))
BDBM50433595
PNG
(CHEMBL2381827)
Show SMILES CCCC(Nc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H29F3N4O3/c1-4-5-22(18-6-8-19(9-7-18)25(36)30-11-10-23(34)35)32-21-12-16(2)24(17(3)13-21)33-15-20(14-31-33)26(27,28)29/h6-9,12-15,22,32H,4-5,10-11H2,1-3H3,(H,30,36)(H,34,35)
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433577
PNG
(CHEMBL2381848)
Show SMILES CCC[C@H](Oc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433576
PNG
(CHEMBL2381849)
Show SMILES CCC[C@@H](Oc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m1/s1
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64n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM100805
PNG
(US8507533, 113)
Show SMILES CCCC(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C22H23F3N6O3/c1-2-3-18(14-4-6-15(7-5-14)20(34)26-9-8-19(32)33)30-17-11-27-21(28-12-17)31-13-16(10-29-31)22(23,24)25/h4-7,10-13,18,30H,2-3,8-9H2,1H3,(H,26,34)(H,32,33)
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100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433598
PNG
(CHEMBL2381821)
Show SMILES CCCC(Nc1ccc(cc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H25F3N4O3/c1-2-3-21(16-4-6-17(7-5-16)23(34)28-13-12-22(32)33)30-19-8-10-20(11-9-19)31-15-18(14-29-31)24(25,26)27/h4-11,14-15,21,30H,2-3,12-13H2,1H3,(H,28,34)(H,32,33)
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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433589
PNG
(CHEMBL2381834)
Show SMILES CC(C)(C)C(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H26F3N3O4/c1-24(2,3)22(16-4-6-17(7-5-16)23(34)29-13-12-21(32)33)35-20-10-8-19(9-11-20)31-15-18(14-30-31)25(26,27)28/h4-11,14-15,22H,12-13H2,1-3H3,(H,29,34)(H,32,33)
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170n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433597
PNG
(CHEMBL2381822)
Show SMILES CCCC(Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H24F3N5O3/c1-2-3-19(15-4-6-16(7-5-15)22(34)27-11-10-21(32)33)30-18-8-9-20(28-13-18)31-14-17(12-29-31)23(24,25)26/h4-9,12-14,19,30H,2-3,10-11H2,1H3,(H,27,34)(H,32,33)
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170n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM100800
PNG
(US8507533, 108)
Show SMILES CCCC(Oc1ccc(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H26F3N3O4/c1-3-4-22(17-5-7-18(8-6-17)24(34)29-12-11-23(32)33)35-20-9-10-21(16(2)13-20)31-15-19(14-30-31)25(26,27)28/h5-10,13-15,22H,3-4,11-12H2,1-2H3,(H,29,34)(H,32,33)
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433594
PNG
(CHEMBL2381828)
Show SMILES CCCC(Oc1ccc(cc1)-n1cnc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-20(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-19-10-8-18(9-11-19)30-14-21(29-15-30)24(25,26)27/h4-11,14-15,20H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
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220n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM100793
PNG
(US8507533, 86)
Show SMILES CCCC(Oc1ccc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H23F3N4O4/c1-2-3-19(15-4-6-16(7-5-15)22(33)27-11-10-21(31)32)34-18-8-9-20(28-13-18)30-14-17(12-29-30)23(24,25)26/h4-9,12-14,19H,2-3,10-11H2,1H3,(H,27,33)(H,31,32)
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230n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM100817
PNG
(US8507533, 124)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc2ccccc2n1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C27H27N3O4/c1-2-5-25(19-8-10-20(11-9-19)27(33)28-17-16-26(31)32)34-23-14-12-22(13-15-23)30-18-21-6-3-4-7-24(21)29-30/h3-4,6-15,18,25H,2,5,16-17H2,1H3,(H,28,33)(H,31,32)
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290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433590
PNG
(CHEMBL2381833)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H26F3N3O4/c27-26(28,29)20-15-31-32(16-20)21-9-11-22(12-10-21)36-24(17-3-1-2-4-17)18-5-7-19(8-6-18)25(35)30-14-13-23(33)34/h5-12,15-17,24H,1-4,13-14H2,(H,30,35)(H,33,34)
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420n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433591
PNG
(CHEMBL2381832)
Show SMILES CC(C)CC(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H26F3N3O4/c1-16(2)13-22(17-3-5-18(6-4-17)24(34)29-12-11-23(32)33)35-21-9-7-20(8-10-21)31-15-19(14-30-31)25(26,27)28/h3-10,14-16,22H,11-13H2,1-2H3,(H,29,34)(H,32,33)
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549n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433596
PNG
(CHEMBL2381826)
Show SMILES CCCC(Nc1ccc(cn1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H24F3N5O3/c1-2-3-19(15-4-6-16(7-5-15)22(34)27-11-10-21(32)33)30-20-9-8-18(13-28-20)31-14-17(12-29-31)23(24,25)26/h4-9,12-14,19H,2-3,10-11H2,1H3,(H,27,34)(H,28,30)(H,32,33)
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670n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433599
PNG
(CHEMBL2381820)
Show SMILES CCCC(Nc1ccc(cc1)-n1cnc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H25F3N4O3/c1-2-3-20(16-4-6-17(7-5-16)23(34)28-13-12-22(32)33)30-18-8-10-19(11-9-18)31-14-21(29-15-31)24(25,26)27/h4-11,14-15,20,30H,2-3,12-13H2,1H3,(H,28,34)(H,32,33)
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680n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433578
PNG
(CHEMBL2381846)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc2CCCCc2n1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-2-5-25(19-8-10-20(11-9-19)27(33)28-17-16-26(31)32)34-23-14-12-22(13-15-23)30-18-21-6-3-4-7-24(21)29-30/h8-15,18,25H,2-7,16-17H2,1H3,(H,28,33)(H,31,32)
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690n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433592
PNG
(CHEMBL2381831)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)C1CCC1
Show InChI InChI=1S/C25H24F3N3O4/c26-25(27,28)19-14-30-31(15-19)20-8-10-21(11-9-20)35-23(16-2-1-3-16)17-4-6-18(7-5-17)24(34)29-13-12-22(32)33/h4-11,14-16,23H,1-3,12-13H2,(H,29,34)(H,32,33)
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700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433588
PNG
(CHEMBL2381835)
Show SMILES CC(C)C(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-15(2)22(16-3-5-17(6-4-16)23(33)28-12-11-21(31)32)34-20-9-7-19(8-10-20)30-14-18(13-29-30)24(25,26)27/h3-10,13-15,22H,11-12H2,1-2H3,(H,28,33)(H,31,32)
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720n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433593
PNG
(CHEMBL2381824)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-21(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-20-10-8-19(9-11-20)30-15-18(14-29-30)24(25,26)27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
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890n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433585
PNG
(CHEMBL2381838)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(Cl)cn1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H24ClN3O4/c1-2-3-21(16-4-6-17(7-5-16)23(30)25-13-12-22(28)29)31-20-10-8-19(9-11-20)27-15-18(24)14-26-27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,25,30)(H,28,29)
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433579
PNG
(CHEMBL2381845)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(c(C)n1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H26F3N3O4/c1-3-4-22(17-5-7-18(8-6-17)24(34)29-14-13-23(32)33)35-20-11-9-19(10-12-20)31-15-21(16(2)30-31)25(26,27)28/h5-12,15,22H,3-4,13-14H2,1-2H3,(H,29,34)(H,32,33)
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM100834
PNG
(CHEMBL2381830 | US8507533, 149)
Show SMILES CCCC(Oc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C22H22F3N5O4/c1-2-3-18(14-4-6-15(7-5-14)20(33)26-9-8-19(31)32)34-17-11-27-21(28-12-17)30-13-16(10-29-30)22(23,24)25/h4-7,10-13,18H,2-3,8-9H2,1H3,(H,26,33)(H,31,32)
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433587
PNG
(CHEMBL2381836)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C24H22F3N3O4/c25-24(26,27)18-13-29-30(14-18)19-7-9-20(10-8-19)34-22(15-1-2-15)16-3-5-17(6-4-16)23(33)28-12-11-21(31)32/h3-10,13-15,22H,1-2,11-12H2,(H,28,33)(H,31,32)
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1.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433586
PNG
(CHEMBL2381837)
Show SMILES CCC(Oc1ccc(cc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H22F3N3O4/c1-2-20(15-3-5-16(6-4-15)22(32)27-12-11-21(30)31)33-19-9-7-18(8-10-19)29-14-17(13-28-29)23(24,25)26/h3-10,13-14,20H,2,11-12H2,1H3,(H,27,32)(H,30,31)
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1.40E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433576
PNG
(CHEMBL2381849)
Show SMILES CCC[C@@H](Oc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM100790
PNG
(US8507533, 28)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(F)cn1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H24FN3O4/c1-2-3-21(16-4-6-17(7-5-16)23(30)25-13-12-22(28)29)31-20-10-8-19(9-11-20)27-15-18(24)14-26-27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,25,30)(H,28,29)
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1.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433584
PNG
(CHEMBL2381839)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(C)cn1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H27N3O4/c1-3-4-22(18-5-7-19(8-6-18)24(30)25-14-13-23(28)29)31-21-11-9-20(10-12-21)27-16-17(2)15-26-27/h5-12,15-16,22H,3-4,13-14H2,1-2H3,(H,25,30)(H,28,29)
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1.90E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50433577
PNG
(CHEMBL2381848)
Show SMILES CCC[C@H](Oc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
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3.16E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GLP-1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433583
PNG
(CHEMBL2381841)
Show SMILES CCCC(Oc1ccc(cc1)-n1cccn1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H25N3O4/c1-2-4-21(30-20-11-9-19(10-12-20)26-16-3-14-25-26)17-5-7-18(8-6-17)23(29)24-15-13-22(27)28/h3,5-12,14,16,21H,2,4,13,15H2,1H3,(H,24,29)(H,27,28)
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4.10E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433582
PNG
(CHEMBL2381842)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(cn1)C#N)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24N4O4/c1-2-3-22(18-4-6-19(7-5-18)24(31)26-13-12-23(29)30)32-21-10-8-20(9-11-21)28-16-17(14-25)15-27-28/h4-11,15-16,22H,2-3,12-13H2,1H3,(H,26,31)(H,29,30)
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4.10E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433581
PNG
(CHEMBL2381843)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(OC)cn1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H27N3O5/c1-3-4-22(17-5-7-18(8-6-17)24(30)25-14-13-23(28)29)32-20-11-9-19(10-12-20)27-16-21(31-2)15-26-27/h5-12,15-16,22H,3-4,13-14H2,1-2H3,(H,25,30)(H,28,29)
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4.40E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50433580
PNG
(CHEMBL2381844)
Show SMILES CCCC(Oc1ccc(cc1)-n1cc(cn1)C(=O)N(C)C)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H30N4O5/c1-4-5-23(18-6-8-19(9-7-18)25(33)27-15-14-24(31)32)35-22-12-10-21(11-13-22)30-17-20(16-28-30)26(34)29(2)3/h6-13,16-17,23H,4-5,14-15H2,1-3H3,(H,27,33)(H,31,32)
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6.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50259015
PNG
(5-(3-chlorobenzyl)-3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1c


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167427
PNG
(CHEMBL3800397)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2cccc(Cl)c2)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H32ClN5O4/c30-21-6-4-7-22(17-21)39-26-9-5-8-25(35-14-2-1-3-15-35)23(26)18-33-29(32)34-27(36)20-12-10-19(11-13-20)16-24(31)28(37)38/h4-13,17,24H,1-3,14-16,18,31H2,(H,37,38)(H3,32,33,34,36)/t24-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167429
PNG
(CHEMBL3799301)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccc(cc2)C(F)(F)F)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C30H32F3N5O4/c31-30(32,33)21-11-13-22(14-12-21)42-26-6-4-5-25(38-15-2-1-3-16-38)23(26)18-36-29(35)37-27(39)20-9-7-19(8-10-20)17-24(34)28(40)41/h4-14,24H,1-3,15-18,34H2,(H,40,41)(H3,35,36,37,39)/t24-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167428
PNG
(CHEMBL3797264)
Show SMILES COc1cccc(Oc2cccc(N3CCCCC3)c2CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1
Show InChI InChI=1S/C30H35N5O5/c1-39-22-7-5-8-23(18-22)40-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)21-13-11-20(12-14-21)17-25(31)29(37)38/h5-14,18,25H,2-4,15-17,19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50438698
PNG
(CHEMBL2414663)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3cnon3)C(=O)c12
Show InChI InChI=1S/C21H21N7O4/c22-18-17-19(24-12-23-18)31-10-9-28(21(17)30)15-3-1-13(2-4-15)14-5-7-27(8-6-14)20(29)16-11-25-32-26-16/h1-4,11-12,14H,5-10H2,(H2,22,23,24)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM50233990
PNG
(CHEMBL4104957)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccccc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH2 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167538
PNG
(CHEMBL3799331)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1cc(ccc1N1CCCCC1)-c1nccs1)C(O)=O
Show InChI InChI=1S/C26H30N6O3S/c27-21(25(34)35)14-17-4-6-18(7-5-17)23(33)31-26(28)30-16-20-15-19(24-29-10-13-36-24)8-9-22(20)32-11-2-1-3-12-32/h4-10,13,15,21H,1-3,11-12,14,16,27H2,(H,34,35)(H3,28,30,31,33)/t21-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50438743
PNG
(CHEMBL2414687)
Show SMILES C[C@@H]1CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1
Show InChI InChI=1S/C22H26N4O4/c1-13-11-26(22(29)19-20(23)24-12-25-21(19)30-13)17-8-6-16(7-9-17)15-4-2-14(3-5-15)10-18(27)28/h6-9,12-15H,2-5,10-11H2,1H3,(H,27,28)(H2,23,24,25)/t13-,14-,15-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi...


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50355142
PNG
(CHEMBL1835919)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting


ACS Med Chem Lett 2: 407-412 (2011)


Article DOI: 10.1021/ml200051p
BindingDB Entry DOI: 10.7270/Q2MW2HM6
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167426
PNG
(CHEMBL3798045)
Show SMILES Cc1cccc(Oc2cccc(N3CCCCC3)c2CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1
Show InChI InChI=1S/C30H35N5O4/c1-20-7-5-8-23(17-20)39-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)22-13-11-21(12-14-22)18-25(31)29(37)38/h5-14,17,25H,2-4,15-16,18-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50355142
PNG
(CHEMBL1835919)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi...


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167425
PNG
(CHEMBL3799810)
Show SMILES COc1ccccc1Oc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C30H35N5O5/c1-39-26-9-3-4-10-27(26)40-25-11-7-8-24(35-16-5-2-6-17-35)22(25)19-33-30(32)34-28(36)21-14-12-20(13-15-21)18-23(31)29(37)38/h3-4,7-15,23H,2,5-6,16-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t23-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167424
PNG
(CHEMBL3799287)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccccc2C(F)(F)F)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C30H32F3N5O4/c31-30(32,33)22-7-2-3-9-26(22)42-25-10-6-8-24(38-15-4-1-5-16-38)21(25)18-36-29(35)37-27(39)20-13-11-19(12-14-20)17-23(34)28(40)41/h2-3,6-14,23H,1,4-5,15-18,34H2,(H,40,41)(H3,35,36,37,39)/t23-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50167820
PNG
(CHEMBL3797282)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1ccccc1N1CC2CCC1C2)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c25-20(23(31)32)12-15-5-8-17(9-6-15)22(30)28-24(26)27-13-18-3-1-2-4-21(18)29-14-16-7-10-19(29)11-16/h1-6,8-9,16,19-20H,7,10-14,25H2,(H,31,32)(H3,26,27,28,30)/t16?,19?,20-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167398
PNG
(CHEMBL3798880)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(Oc2ccc(Cl)cc2)cccc1N1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H32ClN5O4/c30-21-11-13-22(14-12-21)39-26-6-4-5-25(35-15-2-1-3-16-35)23(26)18-33-29(32)34-27(36)20-9-7-19(8-10-20)17-24(31)28(37)38/h4-14,24H,1-3,15-18,31H2,(H,37,38)(H3,32,33,34,36)/t24-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase_UNCURATED


(Homo sapiens (Human))
BDBM50234204
PNG
(CHEMBL4077986)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(c2)S(N)(=O)=O)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C27H28ClF3N6O5S/c28-16-4-5-18(19(11-16)15-2-1-3-17(10-15)43(33,40)41)23(27(29,30)31)42-22-12-21(35-25(32)36-22)37-8-6-26(7-9-37)13-20(24(38)39)34-14-26/h1-5,10-12,20,23,34H,6-9,13-14H2,(H,38,39)(H2,32,35,36)(H2,33,40,41)/t20-,23+/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167537
PNG
(CHEMBL3799498)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)\N=C(/N)NCc1c(cccc1C(F)(F)F)N1CCCCC1)C(O)=O
Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)18-5-4-6-20(32-11-2-1-3-12-32)17(18)14-30-23(29)31-21(33)16-9-7-15(8-10-16)13-19(28)22(34)35/h4-10,19H,1-3,11-14,28H2,(H,34,35)(H3,29,30,31,33)/t19-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50167399
PNG
(CHEMBL3800151)
Show SMILES Cc1ccccc1Oc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Show InChI InChI=1S/C30H35N5O4/c1-20-8-3-4-10-26(20)39-27-11-7-9-25(35-16-5-2-6-17-35)23(27)19-33-30(32)34-28(36)22-14-12-21(13-15-22)18-24(31)29(37)38/h3-4,7-15,24H,2,5-6,16-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t24-/m0/s1
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair
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