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Compile Data Set for Download or QSAR

Found 391 hits with Last Name = 'sills' 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
Mu-type opioid receptor


(MOUSE)
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017231
PNG
((4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexah...)
Show SMILES CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-2-21-11-13-22(12-10-16-6-4-3-5-7-16)15-20(21)24-19-9-8-17(23)14-18(19)21/h3-9,14,20,23H,2,10-13,15H2,1H3/t20-,21-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017232
PNG
(3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
Show InChI InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017232
PNG
(3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
Show InChI InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017238
PNG
((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1
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4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017232
PNG
(3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
Show InChI InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3
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6n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81522
PNG
(CGS 23130)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(Oc3cccc(c3)C(O)=O)cc2CCC(O)=O)cc1
Show InChI InChI=1S/C29H30O7/c1-34-24-13-10-21(11-14-24)7-4-2-3-5-18-35-27-16-15-26(19-22(27)12-17-28(30)31)36-25-9-6-8-23(20-25)29(32)33/h4,6-11,13-16,19-20H,2-3,5,12,17-18H2,1H3,(H,30,31)(H,32,33)/b7-4+
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8n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017231
PNG
((4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexah...)
Show SMILES CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-2-21-11-13-22(12-10-16-6-4-3-5-7-16)15-20(21)24-19-9-8-17(23)14-18(19)21/h3-9,14,20,23H,2,10-13,15H2,1H3/t20-,21-/m0/s1
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8n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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10n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81521
PNG
(20-OH-LTB4 | CAS_1589 | NSC_1589)
Show SMILES OCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O |w:6.5,11.10,13.12,15.14|
Show InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)
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13n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM50001611
PNG
((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
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15n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017234
PNG
((4aS,9aR)-2-Cyclobutylmethyl-4a-ethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO2/c1-2-18-8-9-19(11-13-4-3-5-13)12-17(18)21-16-7-6-14(20)10-15(16)18/h6-7,10,13,17,20H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1
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17n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017236
PNG
((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1
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19n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81522
PNG
(CGS 23130)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(Oc3cccc(c3)C(O)=O)cc2CCC(O)=O)cc1
Show InChI InChI=1S/C29H30O7/c1-34-24-13-10-21(11-14-24)7-4-2-3-5-18-35-27-16-15-26(19-22(27)12-17-28(30)31)36-25-9-6-8-23(20-25)29(32)33/h4,6-11,13-16,19-20H,2-3,5,12,17-18H2,1H3,(H,30,31)(H,32,33)/b7-4+
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24n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017237
PNG
((4aS,9aR)-4a-Ethyl-2-propyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
Show InChI InChI=1S/C16H23NO2/c1-3-8-17-9-7-16(4-2)13-10-12(18)5-6-14(13)19-15(16)11-17/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3/t15-,16-/m0/s1
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30n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017239
PNG
((4aS,9aR)-4a-Ethyl-2-furan-3-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-6-7-19(10-13-5-8-21-12-13)11-17(18)22-16-4-3-14(20)9-15(16)18/h3-5,8-9,12,17,20H,2,6-7,10-11H2,1H3/t17-,18-/m0/s1
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31n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017238
PNG
((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1
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34n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM50001611
PNG
((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
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35n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017240
PNG
((4aS,9aR)-2-Cyclopentylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C19H27NO2/c1-2-19-9-10-20(12-14-5-3-4-6-14)13-18(19)22-17-8-7-15(21)11-16(17)19/h7-8,11,14,18,21H,2-6,9-10,12-13H2,1H3/t18-,19-/m0/s1
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50n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017238
PNG
((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1
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53n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81519
PNG
(CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
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66n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017235
PNG
((4aS,9aR)-4a-Ethyl-2-(tetrahydro-furan-2-ylmethyl)...)
Show SMILES CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h5-6,10,14,17,20H,2-4,7-9,11-12H2,1H3/t14?,17-,18-/m0/s1
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73n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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93n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017241
PNG
((4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h3-6,9-10,17,20H,2,7-8,11-12H2,1H3/t17-,18-/m0/s1
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99n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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100n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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100n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017239
PNG
((4aS,9aR)-4a-Ethyl-2-furan-3-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-6-7-19(10-13-5-8-21-12-13)11-17(18)22-16-4-3-14(20)9-15(16)18/h3-5,8-9,12,17,20H,2,6-7,10-11H2,1H3/t17-,18-/m0/s1
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115n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81519
PNG
(CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
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116n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81520
PNG
(CGS 23113)
Show SMILES CCCCCCCCC(O)\C=C\c1cccc(n1)C1OC1CCCCO
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-12-19(25)16-15-18-11-10-13-20(23-18)22-21(26-22)14-8-9-17-24/h10-11,13,15-16,19,21-22,24-25H,2-9,12,14,17H2,1H3/b16-15+
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124n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017242
PNG
((4aS,9aR)-4a-Ethyl-2,9a-dimethyl-1,2,3,4,4a,9a-hex...)
Show SMILES CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-4-15-7-8-16(3)10-14(15,2)18-13-6-5-11(17)9-12(13)15/h5-6,9,17H,4,7-8,10H2,1-3H3/t14-,15-/m0/s1
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126n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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131n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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137n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50004927
PNG
(4-Phosphonomethyl-piperidine-2-carboxylic acid | 4...)
Show SMILES OC(=O)[C@@H]1C[C@H](CP(O)(O)=O)CCN1
Show InChI InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
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140n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50002360
PNG
((CPP)4-(3-Phosphono-propyl)-piperazine-2-carboxyli...)
Show SMILES OC(=O)C1CN(CCCP(O)(O)=O)CCN1
Show InChI InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)
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150n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017239
PNG
((4aS,9aR)-4a-Ethyl-2-furan-3-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-6-7-19(10-13-5-8-21-12-13)11-17(18)22-16-4-3-14(20)9-15(16)18/h3-5,8-9,12,17,20H,2,6-7,10-11H2,1H3/t17-,18-/m0/s1
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190n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017236
PNG
((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1
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212n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50002360
PNG
((CPP)4-(3-Phosphono-propyl)-piperazine-2-carboxyli...)
Show SMILES OC(=O)C1CN(CCCP(O)(O)=O)CCN1
Show InChI InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)
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220n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017237
PNG
((4aS,9aR)-4a-Ethyl-2-propyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
Show InChI InChI=1S/C16H23NO2/c1-3-8-17-9-7-16(4-2)13-10-12(18)5-6-14(13)19-15(16)11-17/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3/t15-,16-/m0/s1
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231n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017234
PNG
((4aS,9aR)-2-Cyclobutylmethyl-4a-ethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO2/c1-2-18-8-9-19(11-13-4-3-5-13)12-17(18)21-16-7-6-14(20)10-15(16)18/h6-7,10,13,17,20H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1
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270n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81518
PNG
(CGS 23167)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C18H26N4O3/c1-5-13-10-14(12(2)23)15(24)11-16(13)25-9-7-6-8-18(3,4)17-19-21-22-20-17/h10-11,24H,5-9H2,1-4H3,(H,19,20,21,22)
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293n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017237
PNG
((4aS,9aR)-4a-Ethyl-2-propyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
Show InChI InChI=1S/C16H23NO2/c1-3-8-17-9-7-16(4-2)13-10-12(18)5-6-14(13)19-15(16)11-17/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3/t15-,16-/m0/s1
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335n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017240
PNG
((4aS,9aR)-2-Cyclopentylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C19H27NO2/c1-2-19-9-10-20(12-14-5-3-4-6-14)13-18(19)22-17-8-7-15(21)11-16(17)19/h7-8,11,14,18,21H,2-6,9-10,12-13H2,1H3/t18-,19-/m0/s1
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340n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM81977
PNG
(CAS_79055-68-8 | CB3371309 | D-AP5 | D-APV)
Show SMILES N[C@H](CCCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
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350n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene 2


(Homo sapiens (Human))
BDBM81518
PNG
(CGS 23167)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCC(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C18H26N4O3/c1-5-13-10-14(12(2)23)15(24)11-16(13)25-9-7-6-8-18(3,4)17-19-21-22-20-17/h10-11,24H,5-9H2,1-4H3,(H,19,20,21,22)
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364n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM81977
PNG
(CAS_79055-68-8 | CB3371309 | D-AP5 | D-APV)
Show SMILES N[C@H](CCCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
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400n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)


Article DOI: 10.1111/j.1476-5381.1988.tb11723.x
BindingDB Entry DOI: 10.7270/Q2Z036NF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017234
PNG
((4aS,9aR)-2-Cyclobutylmethyl-4a-ethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO2/c1-2-18-8-9-19(11-13-4-3-5-13)12-17(18)21-16-7-6-14(20)10-15(16)18/h6-7,10,13,17,20H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1
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410n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)


BindingDB Entry DOI: 10.7270/Q2Q240T3
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM81521
PNG
(20-OH-LTB4 | CAS_1589 | NSC_1589)
Show SMILES OCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O |w:6.5,11.10,13.12,15.14|
Show InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)
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427n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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454n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 80-9 (1992)


BindingDB Entry DOI: 10.7270/Q21C1VBX
More data for this
Ligand-Target Pair
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