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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'shibuya' and Initial = 'y'   
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
Neprilysin


(Homo sapiens (Human))
BDBM50354041
PNG
(CHEMBL1829584)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H30N2O5/c31-26(32)17-18-29-27(33)25(30-24(28(34)35)16-13-20-7-3-1-4-8-20)19-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,24-25,30H,13,16-19H2,(H,29,33)(H,31,32)(H,34,35)/t24-,25-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354042
PNG
(CHEMBL1829585)
Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C29H32N2O5/c1-20(28(33)34)19-30-27(32)26(31-25(29(35)36)17-14-21-8-4-2-5-9-21)18-22-12-15-24(16-13-22)23-10-6-3-7-11-23/h2-13,15-16,20,25-26,31H,14,17-19H2,1H3,(H,30,32)(H,33,34)(H,35,36)/t20-,25-,26-/m0/s1
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Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182852
PNG
(US9149492, Compound 1D)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1
Show InChI InChI=1/C38H46N2O5/c1-26(2)32-14-11-15-33(27(3)4)38(32)39-35(42)24-34(41)30(22-28-12-7-5-8-13-28)23-29-17-19-31(20-18-29)45-37(44)25-40-21-10-6-9-16-36(40)43/h5,7-8,11-15,17-20,26-27,30H,6,9-10,16,21-25H2,1-4H3,(H,39,42)
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n/an/a 3.20n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182851
PNG
(US9149492, Compound 1C)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1
Show InChI InChI=1/C43H56N2O5/c1-31(2)37-18-15-19-38(32(3)4)43(37)44-40(47)30-39(46)35(28-33-16-9-7-10-17-33)29-34-22-24-36(25-23-34)50-42(49)21-12-5-6-13-26-45-27-14-8-11-20-41(45)48/h7,9-10,15-19,22-25,31-32,35H,5-6,8,11-14,20-21,26-30H2,1-4H3,(H,44,47)
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Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182849
PNG
(US9149492, Compound 1A)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H35NO2/c1-21(2)26-16-11-17-27(22(3)4)30(26)31-29(33)20-28(32)25(18-23-12-7-5-8-13-23)19-24-14-9-6-10-15-24/h5-17,21-22,25H,18-20H2,1-4H3,(H,31,33)
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Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354040
PNG
(CHEMBL1829583)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCC(O)=O |r|
Show InChI InChI=1S/C20H22N2O5/c23-18(24)10-11-21-20(27)17(22-13-19(25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,21,27)(H,23,24)(H,25,26)/t17-/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182850
PNG
(US9149492, Compound 1B)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1
Show InChI InChI=1/C30H35NO3/c1-20(2)26-11-8-12-27(21(3)4)30(26)31-29(34)19-28(33)24(17-22-9-6-5-7-10-22)18-23-13-15-25(32)16-14-23/h5-16,20-21,24,32H,17-19H2,1-4H3,(H,31,34)
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Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182848
PNG
(US9149492, Eflucimibe (F12511))
Show SMILES CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 |r|
Show InChI InChI=1/C29H43NO2S/c1-5-6-7-8-9-10-11-12-13-17-20-33-28(25-18-15-14-16-19-25)29(32)30-26-21-22(2)27(31)24(4)23(26)3/h14-16,18-19,21,28,31H,5-13,17,20H2,1-4H3,(H,30,32)/t28-/s2
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Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182848
PNG
(US9149492, Eflucimibe (F12511))
Show SMILES CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 |r|
Show InChI InChI=1/C29H43NO2S/c1-5-6-7-8-9-10-11-12-13-17-20-33-28(25-18-15-14-16-19-25)29(32)30-26-21-22(2)27(31)24(4)23(26)3/h14-16,18-19,21,28,31H,5-13,17,20H2,1-4H3,(H,30,32)/t28-/s2
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182849
PNG
(US9149492, Compound 1A)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H35NO2/c1-21(2)26-16-11-17-27(22(3)4)30(26)31-29(33)20-28(32)25(18-23-12-7-5-8-13-23)19-24-14-9-6-10-15-24/h5-17,21-22,25H,18-20H2,1-4H3,(H,31,33)
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Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354044
PNG
(CHEMBL1829587)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H25NO4/c27-24(28)22(16-13-18-7-3-1-4-8-18)26-23(25(29)30)17-19-11-14-21(15-12-19)20-9-5-2-6-10-20/h1-12,14-15,22-23,26H,13,16-17H2,(H,27,28)(H,29,30)/t22-,23-/m0/s1
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Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354043
PNG
(CHEMBL1829586)
Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(C)cc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C24H30N2O5/c1-16-8-10-19(11-9-16)14-21(22(27)25-15-17(2)23(28)29)26-20(24(30)31)13-12-18-6-4-3-5-7-18/h3-11,17,20-21,26H,12-15H2,1-2H3,(H,25,27)(H,28,29)(H,30,31)/t17-,20-,21-/m0/s1
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Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182847
PNG
(US9149492, K-604)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182851
PNG
(US9149492, Compound 1C)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1
Show InChI InChI=1/C43H56N2O5/c1-31(2)37-18-15-19-38(32(3)4)43(37)44-40(47)30-39(46)35(28-33-16-9-7-10-17-33)29-34-22-24-36(25-23-34)50-42(49)21-12-5-6-13-26-45-27-14-8-11-20-41(45)48/h7,9-10,15-19,22-25,31-32,35H,5-6,8,11-14,20-21,26-30H2,1-4H3,(H,44,47)
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50360304
PNG
(CHEMBL516093 | US9149492, Beauveriolide I)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-7-11-18(4)23-16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22(14-17(2)3)27(34)35-23/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t18-,19-,21-,22+,23-/m0/s1
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182852
PNG
(US9149492, Compound 1D)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1
Show InChI InChI=1/C38H46N2O5/c1-26(2)32-14-11-15-33(27(3)4)38(32)39-35(42)24-34(41)30(22-28-12-7-5-8-13-28)23-29-17-19-31(20-18-29)45-37(44)25-40-21-10-6-9-16-36(40)43/h5,7-8,11-15,17-20,26-27,30H,6,9-10,16,21-25H2,1-4H3,(H,39,42)
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182850
PNG
(US9149492, Compound 1B)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1
Show InChI InChI=1/C30H35NO3/c1-20(2)26-11-8-12-27(21(3)4)30(26)31-29(34)19-28(33)24(17-22-9-6-5-7-10-22)18-23-13-15-25(32)16-14-23/h5-16,20-21,24,32H,17-19H2,1-4H3,(H,31,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50360304
PNG
(CHEMBL516093 | US9149492, Beauveriolide I)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-7-11-18(4)23-16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22(14-17(2)3)27(34)35-23/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t18-,19-,21-,22+,23-/m0/s1
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182854
PNG
(US9149492, 14)
Show SMILES CCCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H31N3O/c1-2-3-4-5-6-13-18-23(29)20-26-25-19-24(21-14-9-7-10-15-21)27-28(25)22-16-11-8-12-17-22/h7-12,14-17,19,26H,2-6,13,18,20H2,1H3
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182853
PNG
(US9149492, 13)
Show SMILES CCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H29N3O/c1-2-3-4-5-12-17-22(28)19-25-24-18-23(20-13-8-6-9-14-20)26-27(24)21-15-10-7-11-16-21/h6-11,13-16,18,25H,2-5,12,17,19H2,1H3
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM182855
PNG
(US9149492, 16)
Show SMILES CCCCCCCCCCNc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H33N3/c1-2-3-4-5-6-7-8-15-20-26-25-21-24(22-16-11-9-12-17-22)27-28(25)23-18-13-10-14-19-23/h9-14,16-19,21,26H,2-8,15,20H2,1H3
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354039
PNG
(CHEMBL1829582)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)NCC(O)=O |r|
Show InChI InChI=1S/C14H18N2O5/c17-12(18)6-7-15-14(21)11(16-9-13(19)20)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,15,21)(H,17,18)(H,19,20)/t11-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182853
PNG
(US9149492, 13)
Show SMILES CCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H29N3O/c1-2-3-4-5-12-17-22(28)19-25-24-18-23(20-13-8-6-9-14-20)26-27(24)21-15-10-7-11-16-21/h6-11,13-16,18,25H,2-5,12,17,19H2,1H3
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50371698
PNG
(CHEMBL408322 | US9149492, 1)
Show SMILES CCCCCCCC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50371699
PNG
(CHEMBL270041 | US9149492, 2)
Show SMILES CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-10-17-21(23)22-20-16-12-11-15-19(20)18-13-8-7-9-14-18/h7-9,11-16H,2-6,10,17H2,1H3,(H,22,23)
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182854
PNG
(US9149492, 14)
Show SMILES CCCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H31N3O/c1-2-3-4-5-6-13-18-23(29)20-26-25-19-24(21-14-9-7-10-15-21)27-28(25)22-16-11-8-12-17-22/h7-12,14-17,19,26H,2-6,13,18,20H2,1H3
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182855
PNG
(US9149492, 16)
Show SMILES CCCCCCCCCCNc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H33N3/c1-2-3-4-5-6-7-8-15-20-26-25-21-24(22-16-11-9-12-17-22)27-28(25)23-18-13-10-14-19-23/h9-14,16-19,21,26H,2-8,15,20H2,1H3
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Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM182847
PNG
(US9149492, K-604)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50371698
PNG
(CHEMBL408322 | US9149492, 1)
Show SMILES CCCCCCCC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50371699
PNG
(CHEMBL270041 | US9149492, 2)
Show SMILES CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-10-17-21(23)22-20-16-12-11-15-19(20)18-13-8-7-9-14-18/h7-9,11-16H,2-6,10,17H2,1H3,(H,22,23)
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US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...


US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair