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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'tess' and Initial = 'da'   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120502
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)
Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5|
Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120504
PNG
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25|
Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120505
PNG
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 |t:25|
Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218165
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218166
PNG
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120503
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-methyl-3-oxo-2,3,3a,...)
Show SMILES CN1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H33F2N5O4/c1-27(2,31)25(37)32-22(16-39-15-19-9-10-20(29)21(30)13-19)24(36)35-12-11-23-28(17-35,26(38)34(3)33-23)14-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-17,31H2,1-3H3,(H,32,37)/t22-,28?/m1/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218173
PNG
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218170
PNG
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/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]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218180
PNG
((R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamin...)
Show SMILES CCc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O2S/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218168
PNG
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)
Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218167
PNG
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)
Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
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49n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218177
PNG
((R)-2-(2-(4-(2-(benzyloxymethyl)oxazol-4-yl)phenox...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1coc(COCc2ccccc2)n1)c1cccnc1
Show InChI InChI=1S/C26H27N3O4/c30-25(22-7-4-12-27-15-22)16-28-13-14-32-23-10-8-21(9-11-23)24-18-33-26(29-24)19-31-17-20-5-2-1-3-6-20/h1-12,15,18,25,28,30H,13-14,16-17,19H2/t25-/m0/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218176
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thia...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccncc1)c1cccnc1
Show InChI InChI=1S/C23H22N4O2S/c28-22(19-2-1-9-25-14-19)15-26-12-13-29-20-5-3-17(4-6-20)21-16-30-23(27-21)18-7-10-24-11-8-18/h1-11,14,16,22,26,28H,12-13,15H2/t22-/m0/s1
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97n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218164
PNG
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218182
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)t...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C19H18F3N3O2S/c20-19(21,22)18-25-16(12-28-18)13-3-5-15(6-4-13)27-9-8-24-11-17(26)14-2-1-7-23-10-14/h1-7,10,12,17,24,26H,8-9,11H2/t17-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218185
PNG
((1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thi...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H22N4O2S/c28-22(18-3-1-9-24-13-18)15-26-11-12-29-20-7-5-17(6-8-20)21-16-30-23(27-21)19-4-2-10-25-14-19/h1-10,13-14,16,22,26,28H,11-12,15H2/t22-/m0/s1
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120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218164
PNG
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218172
PNG
((R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)eth...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C1CCCC1)c1cccnc1
Show InChI InChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1
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130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218165
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218181
PNG
((R)-2-(2-(4-(5-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1
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170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218166
PNG
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218171
PNG
((R)-2-(2-(4-(2-(methoxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES COCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1
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210n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218170
PNG
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1
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270n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218167
PNG
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)
Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
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360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218173
PNG
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218168
PNG
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)
Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218179
PNG
((R)-2-(2-(4-(2,5-dimethyloxazol-4-yl)phenoxy)ethyl...)
Show SMILES Cc1nc(c(C)o1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-14-20(23-15(2)26-14)16-5-7-18(8-6-16)25-11-10-22-13-19(24)17-4-3-9-21-12-17/h3-9,12,19,22,24H,10-11,13H2,1-2H3/t19-/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391864
PNG
(CHEMBL2147287)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)C)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C43H39FN4O3/c1-43(2,3)33-20-16-29(17-21-33)35-12-8-9-13-36(35)41(50)46-38-25-19-31-26-32(18-24-37(31)45-38)40(49)47-39(30-10-6-5-7-11-30)42(51)48(4)27-28-14-22-34(44)23-15-28/h5-26,39H,27H2,1-4H3,(H,47,49)(H,45,46,50)/t39-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391862
PNG
(CHEMBL2147285)
Show SMILES CCCc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H37FN4O3/c1-3-9-28-14-18-30(19-15-28)35-12-7-8-13-36(35)41(49)45-38-25-21-32-26-33(20-24-37(32)44-38)40(48)46-39(31-10-5-4-6-11-31)42(50)47(2)27-29-16-22-34(43)23-17-29/h4-8,10-26,39H,3,9,27H2,1-2H3,(H,46,48)(H,44,45,49)/t39-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391861
PNG
(CHEMBL2147284)
Show SMILES CCc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C41H35FN4O3/c1-3-27-13-17-29(18-14-27)34-11-7-8-12-35(34)40(48)44-37-24-20-31-25-32(19-23-36(31)43-37)39(47)45-38(30-9-5-4-6-10-30)41(49)46(2)26-28-15-21-33(42)22-16-28/h4-25,38H,3,26H2,1-2H3,(H,45,47)(H,43,44,48)/t38-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391875
PNG
(CHEMBL2147296)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)C)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C36H34N4O3/c1-36(2,3)27-18-14-23(15-19-27)28-12-8-9-13-29(28)34(42)39-31-21-17-25-22-26(16-20-30(25)38-31)33(41)40-32(35(43)37-4)24-10-6-5-7-11-24/h5-22,32H,1-4H3,(H,37,43)(H,40,41)(H,38,39,42)/t32-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391863
PNG
(CHEMBL2147286)
Show SMILES CC(C)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H37FN4O3/c1-27(2)29-15-17-30(18-16-29)35-11-7-8-12-36(35)41(49)45-38-24-20-32-25-33(19-23-37(32)44-38)40(48)46-39(31-9-5-4-6-10-31)42(50)47(3)26-28-13-21-34(43)22-14-28/h4-25,27,39H,26H2,1-3H3,(H,46,48)(H,44,45,49)/t39-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391869
PNG
(CHEMBL2147301)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(OC(C)C)cc3)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C35H32N4O4/c1-22(2)43-27-17-13-23(14-18-27)28-11-7-8-12-29(28)34(41)38-31-20-16-25-21-26(15-19-30(25)37-31)33(40)39-32(35(42)36-3)24-9-5-4-6-10-24/h4-22,32H,1-3H3,(H,36,42)(H,39,40)(H,37,38,41)/t32-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391863
PNG
(CHEMBL2147286)
Show SMILES CC(C)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H37FN4O3/c1-27(2)29-15-17-30(18-16-29)35-11-7-8-12-36(35)41(49)45-38-24-20-32-25-33(19-23-37(32)44-38)40(48)46-39(31-9-5-4-6-10-31)42(50)47(3)26-28-13-21-34(43)22-14-28/h4-25,27,39H,26H2,1-3H3,(H,46,48)(H,44,45,49)/t39-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391858
PNG
(CHEMBL2147281)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C40H30F4N4O3/c1-48(24-25-11-19-31(41)20-12-25)39(51)36(27-7-3-2-4-8-27)47-37(49)29-15-21-34-28(23-29)16-22-35(45-34)46-38(50)33-10-6-5-9-32(33)26-13-17-30(18-14-26)40(42,43)44/h2-23,36H,24H2,1H3,(H,47,49)(H,45,46,50)/t36-/m0/s1
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n/an/a 0.740n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391867
PNG
(CHEMBL2147290)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H37FN4O4/c1-27(2)51-34-21-15-29(16-22-34)35-11-7-8-12-36(35)41(49)45-38-24-18-31-25-32(17-23-37(31)44-38)40(48)46-39(30-9-5-4-6-10-30)42(50)47(3)26-28-13-19-33(43)20-14-28/h4-25,27,39H,26H2,1-3H3,(H,46,48)(H,44,45,49)/t39-/m0/s1
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n/an/a 0.770n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391865
PNG
(CHEMBL2147291)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(OC(C)(C)C)cc3)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C43H39FN4O4/c1-43(2,3)52-34-22-16-29(17-23-34)35-12-8-9-13-36(35)41(50)46-38-25-19-31-26-32(18-24-37(31)45-38)40(49)47-39(30-10-6-5-7-11-30)42(51)48(4)27-28-14-20-33(44)21-15-28/h5-26,39H,27H2,1-4H3,(H,47,49)(H,45,46,50)/t39-/m0/s1
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n/an/a 0.830n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16315
PNG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 0.840n/an/an/an/a7.024



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 46: 2283-6 (2003)


Article DOI: 10.1021/jm034065z
BindingDB Entry DOI: 10.7270/Q2NV9GGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391858
PNG
(CHEMBL2147281)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C40H30F4N4O3/c1-48(24-25-11-19-31(41)20-12-25)39(51)36(27-7-3-2-4-8-27)47-37(49)29-15-21-34-28(23-29)16-22-35(45-34)46-38(50)33-10-6-5-9-32(33)26-13-17-30(18-14-26)40(42,43)44/h2-23,36H,24H2,1H3,(H,47,49)(H,45,46,50)/t36-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16315
PNG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
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n/an/a 1n/an/an/an/an/an/a



Pfizer



Assay Description
The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...


J Med Chem 48: 6326-39 (2005)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2RN363Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391876
PNG
(CHEMBL2147292)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)CO)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C43H39FN4O4/c1-43(2,27-49)33-19-15-29(16-20-33)35-11-7-8-12-36(35)41(51)46-38-24-18-31-25-32(17-23-37(31)45-38)40(50)47-39(30-9-5-4-6-10-30)42(52)48(3)26-28-13-21-34(44)22-14-28/h4-25,39,49H,26-27H2,1-3H3,(H,47,50)(H,45,46,51)/t39-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391873
PNG
(CHEMBL2147297)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H37FN4O3/c1-42(2,3)32-19-15-28(16-20-32)34-11-7-8-12-35(34)40(49)46-37-24-18-30-25-31(17-23-36(30)45-37)39(48)47-38(29-9-5-4-6-10-29)41(50)44-26-27-13-21-33(43)22-14-27/h4-25,38H,26H2,1-3H3,(H,44,50)(H,47,48)(H,45,46,49)/t38-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391864
PNG
(CHEMBL2147287)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)C)ccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C43H39FN4O3/c1-43(2,3)33-20-16-29(17-21-33)35-12-8-9-13-36(35)41(50)46-38-25-19-31-26-32(18-24-37(31)45-38)40(49)47-39(30-10-6-5-7-11-30)42(51)48(4)27-28-14-22-34(44)23-15-28/h5-26,39H,27H2,1-4H3,(H,47,49)(H,45,46,50)/t39-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391868
PNG
(CHEMBL2146489)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C41H35FN4O4/c1-26(2)50-33-20-14-28(15-21-33)34-10-6-7-11-35(34)40(48)45-37-23-17-30-24-31(16-22-36(30)44-37)39(47)46-38(29-8-4-3-5-9-29)41(49)43-25-27-12-18-32(42)19-13-27/h3-24,26,38H,25H2,1-2H3,(H,43,49)(H,46,47)(H,44,45,48)/t38-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391857
PNG
(CHEMBL2147280)
Show SMILES Cn1c(cc2cc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc12)C(=O)N[C@H](C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H25F3N4O3/c1-39-26-16-15-23(17-21(26)18-27(39)31(42)38-28(29(36)40)20-7-3-2-4-8-20)37-30(41)25-10-6-5-9-24(25)19-11-13-22(14-12-19)32(33,34)35/h2-18,28H,1H3,(H2,36,40)(H,37,41)(H,38,42)/t28-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391856
PNG
(CHEMBL2147279)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2n1C)c1ccccc1 |r|
Show InChI InChI=1S/C33H27F3N4O3/c1-37-32(43)29(21-8-4-3-5-9-21)39-31(42)28-19-22-18-24(16-17-27(22)40(28)2)38-30(41)26-11-7-6-10-25(26)20-12-14-23(15-13-20)33(34,35)36/h3-19,29H,1-2H3,(H,37,43)(H,38,41)(H,39,42)/t29-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50391867
PNG
(CHEMBL2147290)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H37FN4O4/c1-27(2)51-34-21-15-29(16-22-34)35-11-7-8-12-36(35)41(49)45-38-24-18-31-25-32(17-23-37(31)44-38)40(48)46-39(30-9-5-4-6-10-30)42(50)47(3)26-28-13-19-33(43)20-14-28/h4-25,27,39H,26H2,1-3H3,(H,46,48)(H,44,45,49)/t39-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA


Bioorg Med Chem Lett 21: 4150-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.099
BindingDB Entry DOI: 10.7270/Q2B27WCR
More data for this
Ligand-Target Pair
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