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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'guillemette' and Initial = 'g'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313242
PNG
(CHEMBL1076603 | [Sar1,Bpa3]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H75N13O11/c1-4-36(2)51(57(81)70-47(32-42-33-64-35-66-42)58(82)73-28-12-18-49(73)56(80)71-48(59(83)84)31-37-13-7-5-8-14-37)72-55(79)46(30-39-21-25-43(74)26-22-39)69-54(78)45(29-38-19-23-41(24-20-38)52(76)40-15-9-6-10-16-40)68-53(77)44(67-50(75)34-63-3)17-11-27-65-60(61)62/h5-10,13-16,19-26,33,35-36,44-49,51,63,74H,4,11-12,17-18,27-32,34H2,1-3H3,(H,64,66)(H,67,75)(H,68,77)(H,69,78)(H,70,81)(H,71,80)(H,72,79)(H,83,84)(H4,61,62,65)/t36-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313247
PNG
(CHEMBL1076632 | [Sar1,Bpa8]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C56H75N13O11/c1-6-33(4)47(68-50(74)41(26-35-18-22-39(70)23-19-35)64-52(76)46(32(2)3)67-49(73)40(63-45(71)30-59-5)14-10-24-61-56(57)58)53(77)65-42(28-38-29-60-31-62-38)54(78)69-25-11-15-44(69)51(75)66-43(55(79)80)27-34-16-20-37(21-17-34)48(72)36-12-8-7-9-13-36/h7-9,12-13,16-23,29,31-33,40-44,46-47,59,70H,6,10-11,14-15,24-28,30H2,1-5H3,(H,60,62)(H,63,71)(H,64,76)(H,65,77)(H,66,75)(H,67,73)(H,68,74)(H,79,80)(H4,57,58,61)/t33-,40-,41-,42-,43-,44-,46-,47-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313240
PNG
(CHEMBL1076633 | [Sar1,Tdf8]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C1(N=N1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C51H70F3N15O10/c1-6-28(4)41(66-43(73)35(21-30-13-17-33(70)18-14-30)62-45(75)40(27(2)3)65-42(72)34(61-39(71)25-57-5)9-7-19-59-49(55)56)46(76)63-36(23-32-24-58-26-60-32)47(77)69-20-8-10-38(69)44(74)64-37(48(78)79)22-29-11-15-31(16-12-29)50(67-68-50)51(52,53)54/h11-18,24,26-28,34-38,40-41,57,70H,6-10,19-23,25H2,1-5H3,(H,58,60)(H,61,71)(H,62,75)(H,63,76)(H,64,74)(H,65,72)(H,66,73)(H,78,79)(H4,55,56,59)/t28-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313241
PNG
(CHEMBL1076604 | [Sar1,Tdf3]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)C1(N=N1)C(F)(F)F)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C55H70F3N15O10/c1-4-31(2)45(50(80)68-41(27-36-28-62-30-64-36)51(81)73-23-9-13-43(73)49(79)69-42(52(82)83)26-32-10-6-5-7-11-32)70-48(78)40(25-34-16-20-37(74)21-17-34)67-47(77)39(24-33-14-18-35(19-15-33)54(71-72-54)55(56,57)58)66-46(76)38(65-44(75)29-61-3)12-8-22-63-53(59)60/h5-7,10-11,14-21,28,30-31,38-43,45,61,74H,4,8-9,12-13,22-27,29H2,1-3H3,(H,62,64)(H,65,75)(H,66,76)(H,67,77)(H,68,80)(H,69,79)(H,70,78)(H,82,83)(H4,59,60,63)/t31-,38-,39-,40-,41-,42-,43-,45-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313244
PNG
(CHEMBL1076601 | [Sar1,Bpa2]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C59H72N10O11/c1-6-36(4)51(57(77)65-46(31-42-32-61-34-62-42)58(78)69-27-13-18-48(69)55(75)66-47(59(79)80)30-37-14-9-7-10-15-37)68-54(74)45(29-39-21-25-43(70)26-22-39)64-56(76)50(35(2)3)67-53(73)44(63-49(71)33-60-5)28-38-19-23-41(24-20-38)52(72)40-16-11-8-12-17-40/h7-12,14-17,19-26,32,34-36,44-48,50-51,60,70H,6,13,18,27-31,33H2,1-5H3,(H,61,62)(H,63,71)(H,64,76)(H,65,77)(H,66,75)(H,67,73)(H,68,74)(H,79,80)/t36-,44-,45-,46-,47-,48-,50-,51-/m0/s1
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18.3n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313246
PNG
(CHEMBL1076612 | [Bpa1]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(cc1)C(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C62H79N13O11/c1-5-37(4)52(59(83)71-48(33-43-34-66-35-68-43)60(84)75-29-13-19-50(75)57(81)72-49(61(85)86)32-38-14-8-6-9-15-38)74-56(80)47(31-40-22-26-44(76)27-23-40)70-58(82)51(36(2)3)73-55(79)46(18-12-28-67-62(64)65)69-54(78)45(63)30-39-20-24-42(25-21-39)53(77)41-16-10-7-11-17-41/h6-11,14-17,20-27,34-37,45-52,76H,5,12-13,18-19,28-33,63H2,1-4H3,(H,66,68)(H,69,78)(H,70,82)(H,71,83)(H,72,81)(H,73,79)(H,74,80)(H,85,86)(H4,64,65,67)/t37-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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19.4n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313243
PNG
(CHEMBL1076602 | [Sar1,Tdf2]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)C1(N=N1)C(F)(F)F)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C54H67F3N12O10/c1-6-31(4)45(50(76)63-40(26-36-27-59-29-60-36)51(77)69-22-10-13-42(69)48(74)64-41(52(78)79)25-32-11-8-7-9-12-32)66-47(73)39(24-34-16-20-37(70)21-17-34)62-49(75)44(30(2)3)65-46(72)38(61-43(71)28-58-5)23-33-14-18-35(19-15-33)53(67-68-53)54(55,56)57/h7-9,11-12,14-21,27,29-31,38-42,44-45,58,70H,6,10,13,22-26,28H2,1-5H3,(H,59,60)(H,61,71)(H,62,75)(H,63,76)(H,64,74)(H,65,72)(H,66,73)(H,78,79)/t31-,38-,39-,40-,41-,42-,44-,45-/m0/s1
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24.7n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313245
PNG
(CHEMBL1076613 | [Tdf1]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(cc1)C1(N=N1)C(F)(F)F)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C57H74F3N15O10/c1-5-32(4)46(52(82)69-42(28-37-29-64-30-66-37)53(83)75-24-10-14-44(75)50(80)70-43(54(84)85)27-33-11-7-6-8-12-33)72-49(79)41(26-35-17-21-38(76)22-18-35)68-51(81)45(31(2)3)71-48(78)40(13-9-23-65-55(62)63)67-47(77)39(61)25-34-15-19-36(20-16-34)56(73-74-56)57(58,59)60/h6-8,11-12,15-22,29-32,39-46,76H,5,9-10,13-14,23-28,61H2,1-4H3,(H,64,66)(H,67,77)(H,68,81)(H,69,82)(H,70,80)(H,71,78)(H,72,79)(H,84,85)(H4,62,63,65)/t32-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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26.4n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50223216
PNG
(CHEMBL3348562)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)C3N=NN=N3)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H22F2N4O/c1-19-9-8-14-13-5-3-12(20(21,22)18-23-25-26-24-18)10-11(13)2-4-15(14)16(19)6-7-17(19)27/h3,5,10,14-16,18H,2,4,6-9H2,1H3/t14-,15-,16+,19+/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against steroid sulfatase (STS)


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50366887
PNG
(CHEMBL1627329)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(O)(=O)=O)[C@@H]1CCC2C=O
Show InChI InChI=1S/C20H24F2O4S/c1-19-9-8-16-15-6-3-13(20(21,22)27(24,25)26)10-12(15)2-5-17(16)18(19)7-4-14(19)11-23/h3,6,10-11,14,16-18H,2,4-5,7-9H2,1H3,(H,24,25,26)/t14?,16-,17-,18+,19-/m1/s1
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3.70E+4n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against steroid sulfatase (STS)


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50366886
PNG
(CHEMBL1628110)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(O)(=O)=O)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H22F2O4S/c1-18-9-8-14-13-5-3-12(19(20,21)26(23,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)22/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,23,24,25)/t14-,15-,16+,18+/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Competitive inhibitory activity against steroid sulfatase (STS)


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50366524
PNG
(ESTRONE | ESTROPIPATE | Estrone 3-sulfate | Estron...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
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6.00E+4n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against steroid sulfatase (STS) desulfation of 4-MUS


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50366888
PNG
(CHEMBL1627836)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(Cc5nnn[nH]5)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24N4O/c1-20-9-8-15-14-4-2-12(11-19-21-23-24-22-19)10-13(14)3-5-16(15)17(20)6-7-18(20)25/h2,4,10,15-17H,3,5-9,11H2,1H3,(H,21,22,23,24)/t15-,16-,17+,20+/m1/s1
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7.27E+4n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against steroid sulfatase (STS)


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50366884
PNG
(CHEMBL1628109)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(O)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H24O4S/c1-19-9-8-15-14-4-2-12(11-24(21,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)20/h2,4,10,15-17H,3,5-9,11H2,1H3,(H,21,22,23)/t15-,16-,17+,19+/m1/s1
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1.40E+5n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against steroid sulfatase (STS)


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50366885
PNG
(CHEMBL1628114)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(O)(=O)=O)ccc34)[C@@H]1CCC2C=O
Show InChI InChI=1S/C20H26O4S/c1-20-9-8-17-16-5-2-13(12-25(22,23)24)10-14(16)3-6-18(17)19(20)7-4-15(20)11-21/h2,5,10-11,15,17-19H,3-4,6-9,12H2,1H3,(H,22,23,24)/t15?,17-,18-,19+,20-/m1/s1
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1.40E+5n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against steroid sulfatase (STS)


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50366884
PNG
(CHEMBL1628109)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(O)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H24O4S/c1-19-9-8-15-14-4-2-12(11-24(21,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)20/h2,4,10,15-17H,3,5-9,11H2,1H3,(H,21,22,23)/t15-,16-,17+,19+/m1/s1
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6.00E+5n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against steroid sulfatase (STS) using methodology of Li et al.


Bioorg Med Chem Lett 14: 151-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.089
BindingDB Entry DOI: 10.7270/Q28K79NV
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082885
PNG
(CHEMBL144954 | Phosphoric acid mono-((1R,2R,3S,4R,...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](C[C@@H]1OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C6H15O14P3/c7-4-2(18-21(9,10)11)1-3(19-22(12,13)14)6(5(4)8)20-23(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5-,6-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082887
PNG
(CHEMBL18162 | Phosphoric acid mono-((1R,2S,3S,4R,5...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](F)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H14FO14P3/c7-1-4(19-22(10,11)12)2(8)3(9)6(21-24(16,17)18)5(1)20-23(13,14)15/h1-6,8-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4-,5+,6+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082886
PNG
(CHEMBL355920 | Phosphoric acid mono-((1R,2R,3R,4R,...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4-,5-,6-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082888
PNG
(CHEMBL278700 | Phosphoric acid mono-((1R,3R,4R)-3,...)
Show SMILES OP(O)(=O)O[C@@H]1CC[C@@H](OP(O)(O)=O)[C@@H](C1)OP(O)(O)=O
Show InChI InChI=1S/C6H15O12P3/c7-19(8,9)16-4-1-2-5(17-20(10,11)12)6(3-4)18-21(13,14)15/h4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/t4-,5-,6-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082889
PNG
(CHEMBL145009 | Phosphoric acid mono-((1R,2S,3S,4R,...)
Show SMILES N[C@H]1[C@H](OP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H16NO14P3/c7-1-4(19-22(10,11)12)2(8)3(9)6(21-24(16,17)18)5(1)20-23(13,14)15/h1-6,8-9H,7H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4-,5+,6+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50075183
PNG
(1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
More data for this
Ligand-Target Pair