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Compile Data Set for Download or QSAR

Found 282 hits with Last Name = 'koyama' and Initial = 's'   
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
Oxytocin receptor


(Homo sapiens (Human))
BDBM50523555
PNG
(CHEMBL4474284)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C47H67FN12O12S2/c1-5-25(4)40-46(71)55-31(14-15-36(50)62)43(68)57-34(18-37(51)63)44(69)58-35(23-74-73-22-30(49)41(66)56-33(45(70)59-40)17-26-8-12-29(61)13-9-26)47(72)60(20-27-6-10-28(48)11-7-27)21-39(65)54-32(16-24(2)3)42(67)53-19-38(52)64/h6-13,24-25,30-35,40,61H,5,14-23,49H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,71)(H,56,66)(H,57,68)(H,58,69)(H,59,70)/t25-,30-,31-,32-,33-,34-,35-,40-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50205990
PNG
(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50523556
PNG
(CHEMBL4458988)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C48H69FN12O12S/c1-5-26(4)41-47(72)56-32(14-15-37(51)63)44(69)58-35(20-38(52)64)45(70)59-36(24-74-17-16-31(50)42(67)57-34(46(71)60-41)19-27-8-12-30(62)13-9-27)48(73)61(22-28-6-10-29(49)11-7-28)23-40(66)55-33(18-25(2)3)43(68)54-21-39(53)65/h6-13,25-26,31-36,41,62H,5,14-24,50H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,68)(H,55,66)(H,56,72)(H,57,67)(H,58,69)(H,59,70)(H,60,71)/t26-,31-,32-,33-,34-,35-,36-,41-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50044686
PNG
(CHEMBL3354594)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1)[C@@H](C)CC |r|
Show InChI InChI=1S/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(16-17-37(50)62)44(68)57-35(21-38(51)63)45(69)58-36(25-73-18-6-7-40(65)54-34(46(70)59-42)20-28-10-14-31(61)15-11-28)48(72)60(23-29-8-12-30(49)13-9-29)24-41(66)55-33(19-26(2)3)43(67)53-22-39(52)64/h8-15,26-27,32-36,42,61H,5-7,16-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50523557
PNG
(CHEMBL4583231)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H68N12O13S2/c1-5-23(4)36-42(67)50-27(11-12-32(45)58)39(64)52-30(17-33(46)59)40(65)53-31(21-70-69-20-26(44)37(62)51-29(41(66)54-36)16-24-7-9-25(57)10-8-24)43(68)55(13-6-14-56)19-35(61)49-28(15-22(2)3)38(63)48-18-34(47)60/h7-10,22-23,26-31,36,56-57H,5-6,11-21,44H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,67)(H,51,62)(H,52,64)(H,53,65)(H,54,66)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50044742
PNG
(CHEMBL3354579)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1S/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(13-14-33(45)58)40(64)52-31(20-34(46)59)41(65)53-32(23-69-17-6-8-36(61)49-30(42(66)54-38)19-26-9-11-27(57)12-10-26)44(68)55(15-7-16-56)22-37(62)50-29(18-24(2)3)39(63)48-21-35(47)60/h9-12,24-25,28-32,38,56-57H,5-8,13-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,64)(H,53,65)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50044677
PNG
(CHEBI:59204 | Carbetocin)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
Show InChI InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50044777
PNG
(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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2n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50523554
PNG
(CHEMBL4467042)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C44H70N12O13S/c1-5-24(4)37-43(68)51-28(11-12-33(46)59)40(65)53-31(19-34(47)60)41(66)54-32(22-70-16-13-27(45)38(63)52-30(42(67)55-37)18-25-7-9-26(58)10-8-25)44(69)56(14-6-15-57)21-36(62)50-29(17-23(2)3)39(64)49-20-35(48)61/h7-10,23-24,27-32,37,57-58H,5-6,11-22,45H2,1-4H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,49,64)(H,50,62)(H,51,68)(H,52,63)(H,53,65)(H,54,66)(H,55,67)/t24-,27-,28-,29-,30-,31-,32-,37-/m0/s1
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3n/an/an/an/an/an/an/an/a



Tohoku University and Department of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr


J Med Chem 62: 3297-3310 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50168287
PNG
(CHEMBL363800 | Sodium; {3-[(1R,2S,6S)-1-(4,5-diphe...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]3O[C@]23c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO5/c32-26(33)19-34-24-15-7-9-20(18-24)17-23-14-8-16-25-30(23,36-25)29-31-27(21-10-3-1-4-11-21)28(35-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,32,33)/p-1/t23-,25-,30+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptor


Bioorg Med Chem Lett 15: 3279-83 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.042
BindingDB Entry DOI: 10.7270/Q2J103X8
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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12n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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12n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptor


Bioorg Med Chem Lett 15: 3279-83 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.042
BindingDB Entry DOI: 10.7270/Q2J103X8
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240130
PNG
(CHEMBL4060961)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C90H165N35O27S/c1-44(2)39-60(70(97)135)120-78(143)57(26-28-63(95)131)116-74(139)52(20-10-13-32-92)114-76(141)55(23-16-35-105-89(100)101)118-83(148)62-25-18-37-125(62)87(152)46(4)110-73(138)51(19-9-12-31-91)111-66(134)41-107-65(133)40-108-84(149)67(47(5)128)122-82(147)61(43-127)121-77(142)53(21-11-14-33-93)115-75(140)54(22-15-34-104-88(98)99)112-71(136)45(3)109-85(150)68(48(6)129)123-81(146)58(27-29-64(96)132)117-79(144)59(30-38-153-8)119-86(151)69(49(7)130)124-80(145)56(24-17-36-106-90(102)103)113-72(137)50(94)42-126/h44-62,67-69,126-130H,9-43,91-94H2,1-8H3,(H2,95,131)(H2,96,132)(H2,97,135)(H,107,133)(H,108,149)(H,109,150)(H,110,138)(H,111,134)(H,112,136)(H,113,137)(H,114,141)(H,115,140)(H,116,139)(H,117,144)(H,118,148)(H,119,151)(H,120,143)(H,121,142)(H,122,147)(H,123,146)(H,124,145)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106)/t45-,46-,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1
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30n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincu...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240124
PNG
(CHEMBL4090728)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C93H170N36O27S/c1-45(2)41-62(84(150)112-47(4)72(100)138)124-80(146)59(28-30-65(98)134)120-76(142)54(22-12-15-34-95)118-78(144)57(25-18-37-108-92(103)104)122-86(152)64-27-20-39-129(64)90(156)49(6)114-75(141)53(21-11-14-33-94)115-68(137)43-110-67(136)42-111-87(153)69(50(7)131)126-85(151)63(44-130)125-79(145)55(23-13-16-35-96)119-77(143)56(24-17-36-107-91(101)102)117-74(140)48(5)113-88(154)70(51(8)132)127-83(149)60(29-31-66(99)135)121-81(147)61(32-40-157-10)123-89(155)71(52(9)133)128-82(148)58(116-73(139)46(3)97)26-19-38-109-93(105)106/h45-64,69-71,130-133H,11-44,94-97H2,1-10H3,(H2,98,134)(H2,99,135)(H2,100,138)(H,110,136)(H,111,153)(H,112,150)(H,113,154)(H,114,141)(H,115,137)(H,116,139)(H,117,140)(H,118,144)(H,119,143)(H,120,142)(H,121,147)(H,122,152)(H,123,155)(H,124,146)(H,125,145)(H,126,151)(H,127,149)(H,128,148)(H4,101,102,107)(H4,103,104,108)(H4,105,106,109)/t46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,69+,70+,71+/m1/s1
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40n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using pLys4Met H3 peptide as substrate by peroxidase coupled UV-visible spectrophot...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50168291
PNG
(CHEMBL363350 | Sodium; {3-[(S)-2-(4,5-diphenyl-oxa...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:14|
Show InChI InChI=1S/C29H25NO4/c31-26(32)19-33-24-15-7-9-20(18-24)17-23-14-8-16-25(23)29-30-27(21-10-3-1-4-11-21)28(34-29)22-12-5-2-6-13-22/h1-7,9-13,15-16,18,23H,8,14,17,19H2,(H,31,32)/p-1/t23-/m0/s1
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41n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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54n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptor


Bioorg Med Chem Lett 15: 3279-83 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.042
BindingDB Entry DOI: 10.7270/Q2J103X8
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50136234
PNG
(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
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54n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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54n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240122
PNG
(CHEMBL4103690)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CO)C(N)=O |r|
Show InChI InChI=1S/C99H182N38O30S/c1-49(2)43-67(90(161)123-57(77(107)148)21-12-16-37-114-79(150)55(103)46-138)132-86(157)64(29-31-70(105)144)128-82(153)59(23-10-14-35-101)126-84(155)62(26-18-39-116-98(110)111)130-92(163)69-28-20-41-137(69)96(167)51(4)121-81(152)58(22-9-13-34-100)122-73(147)45-118-72(146)44-119-93(164)74(52(5)141)134-91(162)68(48-140)133-85(156)60(24-11-15-36-102)127-83(154)61(25-17-38-115-97(108)109)124-78(149)50(3)120-94(165)75(53(6)142)135-89(160)65(30-32-71(106)145)129-87(158)66(33-42-168-8)131-95(166)76(54(7)143)136-88(159)63(27-19-40-117-99(112)113)125-80(151)56(104)47-139/h49-69,74-76,138-143H,9-48,100-104H2,1-8H3,(H2,105,144)(H2,106,145)(H2,107,148)(H,114,150)(H,118,146)(H,119,164)(H,120,165)(H,121,152)(H,122,147)(H,123,161)(H,124,149)(H,125,151)(H,126,155)(H,127,154)(H,128,153)(H,129,158)(H,130,163)(H,131,166)(H,132,157)(H,133,156)(H,134,162)(H,135,160)(H,136,159)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t50-,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,76-/m0/s1
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60n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincu...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240126
PNG
(CHEMBL4105288)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C90H165N35O26S/c1-44(2)40-60(70(97)134)120-78(142)57(27-29-63(95)130)116-74(138)52(21-11-14-33-92)114-76(140)55(24-17-36-105-89(100)101)118-83(147)62-26-19-38-125(62)87(151)47(5)110-73(137)51(20-10-13-32-91)111-66(133)42-107-65(132)41-108-84(148)67(48(6)127)122-82(146)61(43-126)121-77(141)53(22-12-15-34-93)115-75(139)54(23-16-35-104-88(98)99)113-72(136)46(4)109-85(149)68(49(7)128)123-81(145)58(28-30-64(96)131)117-79(143)59(31-39-152-9)119-86(150)69(50(8)129)124-80(144)56(112-71(135)45(3)94)25-18-37-106-90(102)103/h44-62,67-69,126-129H,10-43,91-94H2,1-9H3,(H2,95,130)(H2,96,131)(H2,97,134)(H,107,132)(H,108,148)(H,109,149)(H,110,137)(H,111,133)(H,112,135)(H,113,136)(H,114,140)(H,115,139)(H,116,138)(H,117,143)(H,118,147)(H,119,150)(H,120,142)(H,121,141)(H,122,146)(H,123,145)(H,124,144)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106)/t45-,46-,47-,48+,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1
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98n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincu...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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110n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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140n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240123
PNG
(CHEMBL4085763)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CO)C(N)=O |r|
Show InChI InChI=1S/C106H194N40O33S/c1-51(2)45-71(96(172)127-53(4)84(160)142-80(57(8)152)101(177)131-61(82(114)158)23-14-18-39-121-85(161)59(110)48-147)140-92(168)68(31-33-74(112)154)136-88(164)63(25-12-16-37-108)134-90(166)66(28-20-41-123-105(117)118)138-98(174)73-30-22-43-146(73)103(179)54(5)129-87(163)62(24-11-15-36-107)130-77(157)47-125-76(156)46-126-99(175)78(55(6)150)143-97(173)72(50-149)141-91(167)64(26-13-17-38-109)135-89(165)65(27-19-40-122-104(115)116)132-83(159)52(3)128-100(176)79(56(7)151)144-95(171)69(32-34-75(113)155)137-93(169)70(35-44-180-10)139-102(178)81(58(9)153)145-94(170)67(29-21-42-124-106(119)120)133-86(162)60(111)49-148/h51-73,78-81,147-153H,11-50,107-111H2,1-10H3,(H2,112,154)(H2,113,155)(H2,114,158)(H,121,161)(H,125,156)(H,126,175)(H,127,172)(H,128,176)(H,129,163)(H,130,157)(H,131,177)(H,132,159)(H,133,162)(H,134,166)(H,135,165)(H,136,164)(H,137,169)(H,138,174)(H,139,178)(H,140,168)(H,141,167)(H,142,160)(H,143,173)(H,144,171)(H,145,170)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t52-,53-,54-,55+,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,78-,79-,80-,81-/m0/s1
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290n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincu...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240121
PNG
(CHEMBL4089148)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C93H170N36O29S/c1-45(2)39-62(72(100)140)124-81(149)59(26-28-65(98)136)120-77(145)55(21-11-14-33-107-74(142)51(96)42-130)119-79(147)57(23-16-35-109-92(103)104)122-86(154)64-25-18-37-129(64)90(158)47(4)114-76(144)53(19-9-12-31-94)115-68(139)41-111-67(138)40-112-87(155)69(48(5)133)126-85(153)63(44-132)125-80(148)54(20-10-13-32-95)118-78(146)56(22-15-34-108-91(101)102)116-73(141)46(3)113-88(156)70(49(6)134)127-84(152)60(27-29-66(99)137)121-82(150)61(30-38-159-8)123-89(157)71(50(7)135)128-83(151)58(24-17-36-110-93(105)106)117-75(143)52(97)43-131/h45-64,69-71,130-135H,9-44,94-97H2,1-8H3,(H2,98,136)(H2,99,137)(H2,100,140)(H,107,142)(H,111,138)(H,112,155)(H,113,156)(H,114,144)(H,115,139)(H,116,141)(H,117,143)(H,118,146)(H,119,147)(H,120,145)(H,121,150)(H,122,154)(H,123,157)(H,124,149)(H,125,148)(H,126,153)(H,127,152)(H,128,151)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t46-,47-,48+,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1
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380n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincu...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50168287
PNG
(CHEMBL363800 | Sodium; {3-[(1R,2S,6S)-1-(4,5-diphe...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]3O[C@]23c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO5/c32-26(33)19-34-24-15-7-9-20(18-24)17-23-14-8-16-25-30(23,36-25)29-31-27(21-10-3-1-4-11-21)28(35-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,32,33)/p-1/t23-,25-,30+/m0/s1
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930n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50136234
PNG
(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50136234
PNG
(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGE-2 binding to Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50136234
PNG
(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostanoid DP receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50136234
PNG
(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGF-2 binding to human Prostanoid FP receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50136234
PNG
(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGE-2 binding to Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD-2 from human Prostanoid DP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29,548 from human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD-2 from human Prostanoid DP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGF-2 from human Prostanoid FP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGF-2 from human Prostanoid FP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29,548 from human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50136234
PNG
(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
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1.02E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGE-2 binding to Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240129
PNG
(CHEMBL4080345)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C92H167N35O28S/c1-45(2)40-61(72(98)138)122-80(146)58(27-29-64(96)133)118-76(142)54(22-12-15-34-105-68(137)44-129)117-78(144)56(24-17-36-107-91(101)102)120-85(151)63-26-19-38-127(63)89(155)48(5)112-75(141)52(20-10-13-32-93)113-67(136)42-109-66(135)41-110-86(152)69(49(6)130)124-84(150)62(43-128)123-79(145)53(21-11-14-33-94)116-77(143)55(23-16-35-106-90(99)100)115-74(140)47(4)111-87(153)70(50(7)131)125-83(149)59(28-30-65(97)134)119-81(147)60(31-39-156-9)121-88(154)71(51(8)132)126-82(148)57(114-73(139)46(3)95)25-18-37-108-92(103)104/h45-63,69-71,128-132H,10-44,93-95H2,1-9H3,(H2,96,133)(H2,97,134)(H2,98,138)(H,105,137)(H,109,135)(H,110,152)(H,111,153)(H,112,141)(H,113,136)(H,114,139)(H,115,140)(H,116,143)(H,117,144)(H,118,142)(H,119,147)(H,120,151)(H,121,154)(H,122,146)(H,123,145)(H,124,150)(H,125,149)(H,126,148)(H4,99,100,106)(H4,101,102,107)(H4,103,104,108)/t46-,47-,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-,70-,71-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincu...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50168287
PNG
(CHEMBL363800 | Sodium; {3-[(1R,2S,6S)-1-(4,5-diphe...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]3O[C@]23c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO5/c32-26(33)19-34-24-15-7-9-20(18-24)17-23-14-8-16-25-30(23,36-25)29-31-27(21-10-3-1-4-11-21)28(35-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,32,33)/p-1/t23-,25-,30+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGE-2 binding to Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3284-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.076
BindingDB Entry DOI: 10.7270/Q2C53KCV
More data for this
Ligand-Target Pair
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