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Compile Data Set for Download or QSAR

Found 413 hits with Last Name = 'scherz' and Initial = 'm'   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM86516
PNG
(ETPDCFWKYCV | Human U-II | L-Ala-Gly-L-Thr-L-Ala-L...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C62H86N14O17S2/c1-31(2)50(62(92)93)76-60(90)47(30-95)74-56(86)43(24-36-18-20-38(78)21-19-36)70-54(84)41(17-11-12-22-63)68-57(87)44(25-37-27-65-40-16-10-9-15-39(37)40)72-55(85)42(23-35-13-7-6-8-14-35)71-59(89)46(29-94)73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78,94-95H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 204-12 (2004)


Article DOI: 10.1124/jpet.104.068320
BindingDB Entry DOI: 10.7270/Q2H993RW
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM86516
PNG
(ETPDCFWKYCV | Human U-II | L-Ala-Gly-L-Thr-L-Ala-L...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C62H86N14O17S2/c1-31(2)50(62(92)93)76-60(90)47(30-95)74-56(86)43(24-36-18-20-38(78)21-19-36)70-54(84)41(17-11-12-22-63)68-57(87)44(25-37-27-65-40-16-10-9-15-39(37)40)72-55(85)42(23-35-13-7-6-8-14-35)71-59(89)46(29-94)73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78,94-95H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 204-12 (2004)


Article DOI: 10.1124/jpet.104.068320
BindingDB Entry DOI: 10.7270/Q2H993RW
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302272
PNG
(1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2...)
Show SMILES Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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1.48E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 204-12 (2004)


Article DOI: 10.1124/jpet.104.068320
BindingDB Entry DOI: 10.7270/Q2H993RW
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50408442
PNG
(CHEMBL2112567)
Show SMILES CC(C)(C)c1cc(\C=C2/CCOC2=O)cc2c1OCC2(C)C
Show InChI InChI=1S/C19H24O3/c1-18(2,3)14-9-12(8-13-6-7-21-17(13)20)10-15-16(14)22-11-19(15,4)5/h8-10H,6-7,11H2,1-5H3/b13-8+
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n/an/a 3.5n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 41: 3515-29 (1998)


Article DOI: 10.1021/jm9802416
BindingDB Entry DOI: 10.7270/Q2V98763
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010779
PNG
(CHEMBL310003 | N-Bicyclo[2.2.1]hept-2-yl-N'-(2-iod...)
Show SMILES NC(Nc1ccccc1I)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14|
Show InChI InChI=1S/C14H18IN3/c15-11-3-1-2-4-12(11)17-14(16)18-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H3,16,17,18)
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n/an/a 4n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010759
PNG
(CHEMBL553896 | N-Adamantan-1-yl-N'-(2-iodo-phenyl)...)
Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1I |w:13.16,TLB:6:7:11:5.4.10,10:9:12:5.4.6,10:5:12:9.11.8,THB:6:5:11:7.12.8|
Show InChI InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010779
PNG
(CHEMBL310003 | N-Bicyclo[2.2.1]hept-2-yl-N'-(2-iod...)
Show SMILES NC(Nc1ccccc1I)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14|
Show InChI InChI=1S/C14H18IN3/c15-11-3-1-2-4-12(11)17-14(16)18-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H3,16,17,18)
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n/an/a 5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010782
PNG
(CHEMBL553347 | N-Adamantan-2-yl-N'-(2-iodo-phenyl)...)
Show SMILES NC(Nc1ccccc1I)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(13.93,-.98,;13.93,-2.52,;15.28,-3.3,;16.62,-2.52,;16.62,-.98,;17.96,-.2,;19.3,-.98,;19.28,-2.52,;17.96,-3.3,;17.96,-4.84,;12.6,-3.3,;11.26,-2.52,;9.86,-1.94,;9.84,-.37,;10.89,.87,;9.55,.39,;9.55,-1.1,;8.36,-2.38,;10.87,-1.59,;12.29,-1.24,;12.29,.29,)|
Show InChI InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)
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n/an/a 5.20n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010742
PNG
(CHEMBL81773 | N-Bicyclo[2.2.1]hept-2-yl-N'-o-tolyl...)
Show SMILES Cc1ccccc1NC(N)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14|
Show InChI InChI=1S/C15H21N3/c1-10-4-2-3-5-13(10)17-15(16)18-14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3,(H3,16,17,18)
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n/an/a 6n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL




J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010795
PNG
(CHEMBL81461 | N-Adamantan-2-yl-N'-o-tolyl-guanidin...)
Show SMILES Cc1ccccc1NC(N)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(9.63,-6.99,;9.63,-5.45,;10.95,-4.68,;10.97,-3.14,;9.63,-2.37,;8.31,-3.16,;8.31,-4.7,;6.96,-5.47,;5.63,-4.7,;5.63,-3.16,;4.3,-5.47,;2.96,-4.68,;1.57,-4.12,;1.55,-2.53,;2.6,-1.29,;1.25,-1.78,;1.26,-3.25,;.06,-4.53,;2.58,-3.75,;3.98,-3.41,;3.99,-1.87,)|
Show InChI InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)
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n/an/a 6n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010759
PNG
(CHEMBL553896 | N-Adamantan-1-yl-N'-(2-iodo-phenyl)...)
Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1I |w:13.16,TLB:6:7:11:5.4.10,10:9:12:5.4.6,10:5:12:9.11.8,THB:6:5:11:7.12.8|
Show InChI InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)
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n/an/a 6n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C |r|
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50063777
PNG
((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...)
Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3
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n/an/a 7n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.


J Med Chem 41: 1112-23 (1998)


Article DOI: 10.1021/jm970679q
BindingDB Entry DOI: 10.7270/Q2K936N4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010742
PNG
(CHEMBL81773 | N-Bicyclo[2.2.1]hept-2-yl-N'-o-tolyl...)
Show SMILES Cc1ccccc1NC(N)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14|
Show InChI InChI=1S/C15H21N3/c1-10-4-2-3-5-13(10)17-15(16)18-14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3,(H3,16,17,18)
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n/an/a 7.70n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010756
PNG
(CHEMBL81835 | N-Adamantan-1-yl-N'-o-tolyl-guanidin...)
Show SMILES Cc1ccccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:7.7,TLB:14:15:19:13.12.18,18:17:20:13.12.14,18:13:20:17.19.16,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)
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n/an/a 8n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL




J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010764
PNG
(CHEMBL543597 | N-Adamantan-1-yl-N'-cyclohexyl-guan...)
Show SMILES NC(NC1CCCCC1)=NC12CC3CC(CC(C3)C1)C2 |w:9.10,TLB:13:14:18:12.11.17,17:16:19:12.11.13,17:12:19:16.18.15,THB:13:12:18:14.19.15|
Show InChI InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)
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n/an/a 8n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010756
PNG
(CHEMBL81835 | N-Adamantan-1-yl-N'-o-tolyl-guanidin...)
Show SMILES Cc1ccccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:7.7,TLB:14:15:19:13.12.18,18:17:20:13.12.14,18:13:20:17.19.16,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)
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n/an/a 8n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010747
PNG
(CHEMBL543201 | CHEMBL78777 | N,N'-Bis-(3-ethyl-phe...)
Show SMILES CCc1cccc(NC(N)=Nc2cccc(CC)c2)c1 |w:10.10|
Show InChI InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
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n/an/a 8.30n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010768
PNG
(CHEMBL553535 | N,N'-Di-adamantan-1-yl-guanidine; h...)
Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=NC12CC3CC(CC(C3)C1)C2 |w:13.16,TLB:6:7:11:5.4.10,17:18:22:16.15.21,21:16:23:20.22.19,21:20:23:16.15.17,THB:6:5:11:7.12.8,17:16:22:18.23.19,8:9:4:7.12.6,8:7:4:9.11.10|
Show InChI InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL




J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010766
PNG
(CHEMBL79164 | N-Cyclohexyl-N'-o-tolyl-guanidine)
Show SMILES Cc1ccccc1N=C(N)NC1CCCCC1 |w:7.7|
Show InChI InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)
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n/an/a 12n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010764
PNG
(CHEMBL543597 | N-Adamantan-1-yl-N'-cyclohexyl-guan...)
Show SMILES NC(NC1CCCCC1)=NC12CC3CC(CC(C3)C1)C2 |w:9.10,TLB:13:14:18:12.11.17,17:16:19:12.11.13,17:12:19:16.18.15,THB:13:12:18:14.19.15|
Show InChI InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)
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n/an/a 13n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010760
PNG
(CHEMBL310170 | N,N'-Bis-(2-ethyl-phenyl)-guanidine)
Show SMILES CCc1ccccc1NC(N)=Nc1ccccc1CC |w:11.12|
Show InChI InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
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n/an/a 14n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL




J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010758
PNG
(CHEMBL312600 | N,N'-Bis-(2-iodo-phenyl)-guanidine)
Show SMILES NC(Nc1ccccc1I)=Nc1ccccc1I |w:10.11|
Show InChI InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)
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n/an/a 14n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010748
PNG
(CHEMBL540291 | N-(3,5-Dimethyl-adamantan-1-yl)-N'-...)
Show SMILES Cc1ccccc1N=C(N)NC12CC3CC(C)(CC(C)(C3)C1)C2 |w:7.7,TLB:14:15:21:13.12.20,20:18:22:13.12.14,20:13:22:18.21.17,THB:19:18:22:13.12.14,16:15:21:13.12.20,14:13:21:15.22.17|
Show InChI InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)
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n/an/a 15n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010766
PNG
(CHEMBL79164 | N-Cyclohexyl-N'-o-tolyl-guanidine)
Show SMILES Cc1ccccc1N=C(N)NC1CCCCC1 |w:7.7|
Show InChI InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)
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n/an/a 15n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50063780
PNG
(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C
Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3
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n/an/a 15n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.


J Med Chem 41: 1112-23 (1998)


Article DOI: 10.1021/jm970679q
BindingDB Entry DOI: 10.7270/Q2K936N4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50063780
PNG
(1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C
Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3
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n/an/a 15n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2).


J Med Chem 41: 1124-37 (1998)


Article DOI: 10.1021/jm970680p
BindingDB Entry DOI: 10.7270/Q2FJ2FXD
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50066572
PNG
(6-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...)
Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)-c1cn2ccsc2n1
Show InChI InChI=1S/C19H22N2OS/c1-18(2,3)13-8-12(9-14-16(13)22-11-19(14,4)5)15-10-21-6-7-23-17(21)20-15/h6-10H,11H2,1-5H3
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n/an/a 15n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 41: 3515-29 (1998)


Article DOI: 10.1021/jm9802416
BindingDB Entry DOI: 10.7270/Q2V98763
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010781
PNG
(CHEMBL545011 | N,N'-Bis-bicyclo[2.2.1]hept-2-yl-gu...)
Show SMILES NC(NC1CC2CCC1C2)=NC1CC2CCC1C2 |w:10.12,THB:2:3:9:7.6,TEB:10:11:17:15.14|
Show InChI InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)
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n/an/a 16n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010758
PNG
(CHEMBL312600 | N,N'-Bis-(2-iodo-phenyl)-guanidine)
Show SMILES NC(Nc1ccccc1I)=Nc1ccccc1I |w:10.11|
Show InChI InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)
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n/an/a 16n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010753
PNG
(CHEMBL553074 | N-(3,5-Dimethyl-adamantan-1-yl)-N'-...)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(N)=Nc1ccccc1I |w:15.18,TLB:0:1:8:3.10.4,4:5:11:3.10.2,4:3:11:5.8.7,THB:6:5:11:3.10.2,2:1:8:3.10.4,2:3:8:1.11.7|
Show InChI InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)
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n/an/a 16n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010768
PNG
(CHEMBL553535 | N,N'-Di-adamantan-1-yl-guanidine; h...)
Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=NC12CC3CC(CC(C3)C1)C2 |w:13.16,TLB:6:7:11:5.4.10,17:18:22:16.15.21,21:16:23:20.22.19,21:20:23:16.15.17,THB:6:5:11:7.12.8,17:16:22:18.23.19,8:9:4:7.12.6,8:7:4:9.11.10|
Show InChI InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)
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n/an/a 16n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010735
PNG
(CHEMBL553817 | N-(2-Iodo-phenyl)-N'-(1,7,7-trimeth...)
Show SMILES CC1(C)C2CCC1(C)C(C2)N=C(N)Nc1ccccc1I |w:10.11,TEB:10:8:1:5.4|
Show InChI InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)
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n/an/a 18n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010765
PNG
(CHEMBL78488 | N-Adamantan-1-yl-N'-(2-nitro-phenyl)...)
Show SMILES N\C([N-]C12CC3CC(CC(C3)C1)C2)=[NH+]/c1ccccc1[N+]([O-])=O |TLB:10:5:12:9.11.8,10:9:12:5.4.6,6:7:11:5.4.10,THB:6:5:11:7.12.8|
Show InChI InChI=1S/C17H21N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2-,18,19,20)/q-1/p+1
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n/an/a 20n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50066561
PNG
(7-tert-Butyl-3,3-dimethyl-5-((Z)-2-thiophen-2-yl-v...)
Show SMILES CC(C)(C)c1cc(\C=C/c2cccs2)cc2c1OCC2(C)C
Show InChI InChI=1S/C20H24OS/c1-19(2,3)16-11-14(8-9-15-7-6-10-22-15)12-17-18(16)21-13-20(17,4)5/h6-12H,13H2,1-5H3/b9-8-
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n/an/a 20n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)


J Med Chem 41: 3515-29 (1998)


Article DOI: 10.1021/jm9802416
BindingDB Entry DOI: 10.7270/Q2V98763
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010762
PNG
(CHEMBL556021 | N-tert-Butyl-N'-(2-iodo-phenyl)-gua...)
Show SMILES CC(C)(C)NC(N)=Nc1ccccc1I |w:7.7|
Show InChI InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)
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n/an/a 21n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010746
PNG
(CHEMBL79186 | N-(2-Iodo-phenyl)-N'-o-tolyl-guanidi...)
Show SMILES Cc1ccccc1N=C(N)Nc1ccccc1I |w:7.7|
Show InChI InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)
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n/an/a 21n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010802
PNG
(CHEMBL554972 | N,N'-Bis-bicyclo[2.2.1]hept-2-yl-gu...)
Show SMILES NC(NC1CC2CCC1C2)=NC1CC2CCC1C2 |w:10.12,TLB:2:3:9:7.6,TEB:10:11:17:15.14|
Show InChI InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)
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n/an/a 22n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010746
PNG
(CHEMBL79186 | N-(2-Iodo-phenyl)-N'-o-tolyl-guanidi...)
Show SMILES Cc1ccccc1N=C(N)Nc1ccccc1I |w:7.7|
Show InChI InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)
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n/an/a 23n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL




J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010801
PNG
(CHEMBL79665 | N-o-Tolyl-N'-(1,7,7-trimethyl-bicycl...)
Show SMILES Cc1ccccc1NC(N)=NC1CC2CCC1(C)C2(C)C |w:10.11,TEB:10:11:18:15.14|
Show InChI InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)
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n/an/a 25n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010747
PNG
(CHEMBL543201 | CHEMBL78777 | N,N'-Bis-(3-ethyl-phe...)
Show SMILES CCc1cccc(NC(N)=Nc2cccc(CC)c2)c1 |w:10.10|
Show InChI InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
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n/an/a 30n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL




J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010765
PNG
(CHEMBL78488 | N-Adamantan-1-yl-N'-(2-nitro-phenyl)...)
Show SMILES N\C([N-]C12CC3CC(CC(C3)C1)C2)=[NH+]/c1ccccc1[N+]([O-])=O |TLB:10:5:12:9.11.8,10:9:12:5.4.6,6:7:11:5.4.10,THB:6:5:11:7.12.8|
Show InChI InChI=1S/C17H21N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2-,18,19,20)/q-1/p+1
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n/an/a 30n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50066564
PNG
(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...)
Show SMILES COCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
Show InChI InChI=1S/C18H27NO3/c1-17(2,3)13-9-12(16(20)19-7-8-21-6)10-14-15(13)22-11-18(14,4)5/h9-10H,7-8,11H2,1-6H3,(H,19,20)
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n/an/a 30n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 41: 3515-29 (1998)


Article DOI: 10.1021/jm9802416
BindingDB Entry DOI: 10.7270/Q2V98763
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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n/an/a 32n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010800
PNG
(CHEMBL79436 | N,N'-Bis-(4-bromo-2-methyl-phenyl)-g...)
Show SMILES Cc1cc(Br)ccc1NC(N)=Nc1ccc(Br)cc1C |w:11.12|
Show InChI InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)
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n/an/a 32n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010774
PNG
(CHEMBL539782 | CHEMBL83430 | N,N'-Dibenzyl-guanidi...)
Show SMILES N=C(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)
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n/an/a 33n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50066561
PNG
(7-tert-Butyl-3,3-dimethyl-5-((Z)-2-thiophen-2-yl-v...)
Show SMILES CC(C)(C)c1cc(\C=C/c2cccs2)cc2c1OCC2(C)C
Show InChI InChI=1S/C20H24OS/c1-19(2,3)16-11-14(8-9-15-7-6-10-22-15)12-17-18(16)21-13-20(17,4)5/h6-12H,13H2,1-5H3/b9-8-
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n/an/a 35n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 41: 3515-29 (1998)


Article DOI: 10.1021/jm9802416
BindingDB Entry DOI: 10.7270/Q2V98763
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50066569
PNG
((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...)
Show SMILES Cn1cccc1C(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
Show InChI InChI=1S/C20H25NO2/c1-19(2,3)14-10-13(17(22)16-8-7-9-21(16)6)11-15-18(14)23-12-20(15,4)5/h7-11H,12H2,1-6H3
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n/an/a 35n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)


J Med Chem 41: 3515-29 (1998)


Article DOI: 10.1021/jm9802416
BindingDB Entry DOI: 10.7270/Q2V98763
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010739
PNG
(CHEMBL79437 | N,N'-Bis-(3-propyl-phenyl)-guanidine)
Show SMILES CCCc1cccc(NC(N)=Nc2cccc(CCC)c2)c1 |w:11.11|
Show InChI InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)
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n/an/a 36n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
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