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Compile Data Set for Download or QSAR

Found 523 hits with Last Name = 'aoki' 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
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2.90n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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3.80n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
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3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor by competitive assay


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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4.60n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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5.5n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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6n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088841
PNG
(CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...)
Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)
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6.40n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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7.90n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091040
PNG
(CHEMBL3582119)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nccn12
Show InChI InChI=1S/C29H59O11P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-21-23(37-2)22-39-41(35,36)40-29-26(32)24(20-30)25(31)27(33)28(29)34/h23-34H,3-22H2,1-2H3,(H,35,36)/t23-,24-,25?,26?,27?,28?,29?/m1/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091046
PNG
(CHEMBL3582112)
Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12
Show InChI InChI=1S/C21H26N2O2/c1-11-17(12(2)25-23-11)15-10-16-18(14-9-7-8-13(14)15)22-21(5,6)19(24)20(16,3)4/h10,22H,7-9H2,1-6H3
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091048
PNG
(CHEMBL3582109)
Show SMILES Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1
Show InChI InChI=1S/C18H22N2O2/c1-10-15(11(2)22-20-10)12-7-8-14-13(9-12)17(3,4)16(21)18(5,6)19-14/h7-9,19H,1-6H3
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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20n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50091048
PNG
(CHEMBL3582109)
Show SMILES Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1
Show InChI InChI=1S/C18H22N2O2/c1-10-15(11(2)22-20-10)12-7-8-14-13(9-12)17(3,4)16(21)18(5,6)19-14/h7-9,19H,1-6H3
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091043
PNG
(CHEMBL3582115)
Show SMILES Cc1cnn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12
Show InChI InChI=1S/C30H58O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-21-23(37-2)22-39-30(36)40-29-26(33)24(20-31)25(32)27(34)28(29)35/h23-29,31-35H,3-22H2,1-2H3/t23-,24-,25?,26?,27?,28?,29?/m1/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/a 30n/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088841
PNG
(CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...)
Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)
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33n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091036
PNG
(CHEMBL3582120)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccn2nccc12
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/p+1/t15-/m1/s1
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091049
PNG
(CHEMBL3582125)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
Show InChI InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50088844
PNG
(4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...)
Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)
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37n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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40n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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40n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091034
PNG
(CHEMBL3582121)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cncc2nccn12
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/p+1/t19-/m0/s1
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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48n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Inhibition of GC1 extended spectrum class C beta-lactamase


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50088839
PNG
(CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...)
Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)
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49n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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50n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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50n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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50n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091031
PNG
(CHEMBL3582122)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nncn12
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/p+1/t18-,21-/m1/s1
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091044
PNG
(CHEMBL3582114)
Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2OCOc12
Show InChI InChI=1S/C19H22N2O4/c1-9-13(10(2)25-21-9)11-7-12-14(16-15(11)23-8-24-16)20-19(5,6)17(22)18(12,3)4/h7,20H,8H2,1-6H3
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55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
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69n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091041
PNG
(CHEMBL3582116)
Show SMILES Cc1ncn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12
Show InChI InChI=1S/C29H56O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21-23(35-2)22-37-29(34)38-28-25(31)20-24(30)26(32)27(28)33/h23-28,30-33H,3-22H2,1-2H3/t23-,24?,25?,26?,27?,28?/m1/s1
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69n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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70n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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70n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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70n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
Show InChI InChI=1S/C17H16N2O5/c1-23-14-8-7-11(9-15(14)24-2)16(20)19-18-10-12-5-3-4-6-13(12)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
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80n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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90n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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90n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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100n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091045
PNG
(CHEMBL3582113)
Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCCc12
Show InChI InChI=1S/C22H28N2O2/c1-12-18(13(2)26-24-12)16-11-17-19(15-10-8-7-9-14(15)16)23-22(5,6)20(25)21(17,3)4/h11,23H,7-10H2,1-6H3
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106n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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110n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
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130n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50088845
PNG
(CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...)
Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)
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140n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 875-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00128-1
BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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140n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091054
PNG
(CHEMBL3582111)
Show SMILES COc1cc2NC(C)(C)C(=O)C(C)(C)c2cc1-c1c(C)noc1C
Show InChI InChI=1S/C19H24N2O3/c1-10-16(11(2)24-21-10)12-8-13-14(9-15(12)23-7)20-19(5,6)17(22)18(13,3)4/h8-9,20H,1-7H3
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146n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
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