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Compile Data Set for Download or QSAR

Found 11 hits of ic50 data for polymerid = 50006376   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433275
PNG
(CHEMBL2376320)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O4S/c1-3-18(2)17(27)23-15-9-8-13(10-14(15)16(26)24-18)30(28,29)25-12-6-4-11(5-7-12)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,27)(H,24,26)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433276
PNG
(CHEMBL2376316)
Show SMILES CCC1(CC)CNc2ccc(cc2C(=O)N1)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C19H21F2N3O3S/c1-3-19(4-2)11-22-16-8-6-13(10-14(16)18(25)23-19)28(26,27)24-17-7-5-12(20)9-15(17)21/h5-10,22,24H,3-4,11H2,1-2H3,(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433277
PNG
(CHEMBL2376313)
Show SMILES CCC1(C)N(C)C(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C19H19F2N3O4S/c1-4-19(2)18(26)22-15-8-6-12(10-13(15)17(25)24(19)3)29(27,28)23-16-7-5-11(20)9-14(16)21/h5-10,23H,4H2,1-3H3,(H,22,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433278
PNG
(CHEMBL2376312)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2N(C)C1=O)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O4S/c1-4-19(2)18(25)23(3)16-10-9-14(11-15(16)17(24)21-19)28(26,27)22-13-7-5-12(20)6-8-13/h5-11,22H,4H2,1-3H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433273
PNG
(CHEMBL2376322)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H19N3O4S/c1-3-18(2)17(23)19-15-10-9-13(11-14(15)16(22)20-18)26(24,25)21-12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3,(H,19,23)(H,20,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433269
PNG
(CHEMBL2376303)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C18H17F2N3O4S/c1-3-18(2)17(25)21-14-7-5-11(9-12(14)16(24)22-18)28(26,27)23-15-6-4-10(19)8-13(15)20/h4-9,23H,3H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433270
PNG
(CHEMBL2376329)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C19H21N3O5S/c1-4-19(2)18(24)20-16-10-9-14(11-15(16)17(23)21-19)28(25,26)22-12-5-7-13(27-3)8-6-12/h5-11,22H,4H2,1-3H3,(H,20,24)(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433271
PNG
(CHEMBL2376327)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433272
PNG
(CHEMBL2376325)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-15-9-8-13(10-14(15)16(23)21-18)27(25,26)22-12-6-4-11(19)5-7-12/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
KEGG

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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433279
PNG
(CHEMBL2376311)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16)17(23)21-19)27(25,26)22(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)
KEGG

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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Citation and Details
More data for this
Ligand-Target Pair