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Compile Data Set for Download or QSAR

Found 5997 hits with Last Name = 'jones' and Initial = 'p'   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390853
PNG
(CHEMBL2070800)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H21F2NO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-24)20-13-17(25)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
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0.0500n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390841
PNG
(CHEMBL2070787)
Show SMILES CC(=O)N(Cc1cccc(OCCF)c1)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C22H21FN2O3/c1-17(26)25(16-18-6-5-9-20(14-18)27-13-11-23)21-15-24-12-10-22(21)28-19-7-3-2-4-8-19/h2-10,12,14-15H,11,13,16H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390840
PNG
(CHEMBL2070786)
Show SMILES COc1ccc(OCCF)cc1CN(C(C)=O)c1cc(F)ccc1Oc1ccccc1
Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(30-13-12-25)9-11-23(18)29-2)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311512
PNG
(2-(3-(1-cyclodecylpiperidin-4-yl)-2-oxo-2,3-dihydr...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCCCC2)c1=O
Show InChI InChI=1S/C25H38N4O2/c1-26-24(30)19-28-22-13-9-10-14-23(22)29(25(28)31)21-15-17-27(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,26,30)
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302760
PNG
(CHEMBL568818 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O3/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302755
PNG
(CHEMBL569316 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccn2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)23-11-13-25(14-12-23)33(27-9-7-10-28(34)22-27)26-16-20-31(21-17-26)19-15-24-8-5-6-18-30-24/h5-14,18,22,26,34H,3-4,15-17,19-21H2,1-2H3
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0.240n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302759
PNG
(CHEMBL584941 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
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0.270n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50255877
PNG
(CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
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0.280n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302756
PNG
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390861
PNG
(CHEMBL2070808)
Show SMILES FCC(=O)N(Cc1cccc2CCOc12)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H20FNO3/c24-15-22(26)25(16-18-8-6-7-17-13-14-27-23(17)18)20-11-4-5-12-21(20)28-19-9-2-1-3-10-19/h1-12H,13-16H2
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0.310n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363514
PNG
(CHEMBL1946091)
Show SMILES CCCN(CC)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C20H27FN2O/c1-3-13-22(4-2)20(24)16-9-7-11-18-19(16)15-8-5-6-10-17(15)23(18)14-12-21/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3
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0.380n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302758
PNG
(CHEMBL570000 | N,N-diethyl-4-((1-(2-(furan-2-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccco2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O3/c1-3-30(4-2)28(33)22-10-12-23(13-11-22)31(25-7-5-8-26(32)21-25)24-14-17-29(18-15-24)19-16-27-9-6-20-34-27/h5-13,20-21,24,32H,3-4,14-19H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302765
PNG
(CHEMBL569755 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.430n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390842
PNG
(CHEMBL2070788)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC2CCCC2)c1
Show InChI InChI=1S/C22H26FNO4/c1-26-18-11-12-20(27-2)16(13-18)15-24(22(25)14-23)19-9-5-6-10-21(19)28-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14-15H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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0.501n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand


Bioorg Med Chem Lett 8: 1207-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00187-5
BindingDB Entry DOI: 10.7270/Q2DB834V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302763
PNG
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3
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0.640n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302757
PNG
(CHEMBL568803 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)22-10-12-23(13-11-22)31(25-7-5-8-26(32)21-25)24-14-17-29(18-15-24)19-16-27-9-6-20-34-27/h5-13,20-21,24,32H,3-4,14-19H2,1-2H3
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0.650n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
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0.670n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302761
PNG
(CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311475
PNG
(2-(3-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19+
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363516
PNG
(CHEMBL1946093)
Show SMILES CCCN(CCC)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C21H29FN2O/c1-3-13-23(14-4-2)21(25)17-9-7-11-19-20(17)16-8-5-6-10-18(16)24(19)15-12-22/h5-6,8,10,17H,3-4,7,9,11-15H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363517
PNG
(CHEMBL1946094)
Show SMILES CCCCCCN(CCCCCC)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C27H41FN2O/c1-3-5-7-11-19-29(20-12-8-6-4-2)27(31)23-15-13-17-25-26(23)22-14-9-10-16-24(22)30(25)21-18-28/h9-10,14,16,23H,3-8,11-13,15,17-21H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363519
PNG
(CHEMBL1946096)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C24H27FN2O/c1-2-26(17-18-9-4-3-5-10-18)24(28)20-12-8-14-22-23(20)19-11-6-7-13-21(19)27(22)16-15-25/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3
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0.730n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302762
PNG
(CHEMBL576267 | N,N-diethyl-4-((1-(2-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
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0.760n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363523
PNG
(CHEMBL1944785)
Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CCF
Show InChI InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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0.870n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using phthalazine as substrate assessed as enzyme-substrate complex by Lineweaver-...


Drug Metab Dispos 41: 24-9 (2012)


Article DOI: 10.1124/dmd.112.048546
BindingDB Entry DOI: 10.7270/Q2RF5WRF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302766
PNG
(4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydrox...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3
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0.970n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302769
PNG
(CHEMBL571324 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3
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0.990n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200613
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1
Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302768
PNG
(4-((1-(but-3-enyl)piperidin-4-yl)(3-hydroxyphenyl)...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC=C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C26H35N3O2/c1-4-7-17-27-18-15-23(16-19-27)29(24-9-8-10-25(30)20-24)22-13-11-21(12-14-22)26(31)28(5-2)6-3/h4,8-14,20,23,30H,1,5-7,15-19H2,2-3H3
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1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302777
PNG
(CHEMBL569529 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccncc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)24-8-10-25(11-9-24)33(27-6-5-7-28(34)22-27)26-15-20-31(21-16-26)19-14-23-12-17-30-18-13-23/h5-13,17-18,22,26,34H,3-4,14-16,19-21H2,1-2H3
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1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200594
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1
Show InChI InChI=1S/C29H41N3O3S/c1-21(2)27(35-28-20-24(34-4)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-36-5/h6-11,20-21,23,27H,12-19H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390859
PNG
(CHEMBL2070806)
Show SMILES CC(=O)N(Cc1cccnc1OCCF)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C22H21FN2O3/c1-17(26)25(16-18-8-7-14-24-22(18)27-15-13-23)20-11-5-6-12-21(20)28-19-9-3-2-4-10-19/h2-12,14H,13,15-16H2,1H3
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1.02n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363504
PNG
(CHEMBL1945634)
Show SMILES CCN(CC)C(=O)C1CCCc2c1c1ccc(F)cc1n2CCF
Show InChI InChI=1S/C19H24F2N2O/c1-3-22(4-2)19(24)15-6-5-7-16-18(15)14-9-8-13(21)12-17(14)23(16)11-10-20/h8-9,12,15H,3-7,10-11H2,1-2H3
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1.05n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311487
PNG
(2-(8-cyclodecyl-1-oxo-4-phenyl-2,3,8-triazaspiro[4...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCCCCC2)C1=O
Show InChI InChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31)
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390839
PNG
(CHEMBL2070785)
Show SMILES COc1cccc(CN(C(C)=O)c2cnccc2Oc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-7-6-10-19(13-17)25-2)20-14-22-12-11-21(20)26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
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1.14n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50390863
PNG
(CHEMBL2070810)
Show SMILES FCC(=O)N(Cc1cccc2OCCOc12)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H20FNO4/c24-15-22(26)25(16-17-7-6-12-21-23(17)28-14-13-27-21)19-10-4-5-11-20(19)29-18-8-2-1-3-9-18/h1-12H,13-16H2
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1.14n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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1.24n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins


Bioorg Med Chem Lett 22: 5795-800 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.093
BindingDB Entry DOI: 10.7270/Q29K4CBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50215551
PNG
(CHEMBL410194)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C70H98N14O21S2/c1-41(85)59-67(101)78-54(66(100)80-60(42(2)86)68(102)103)40-107-106-39-53(77-62(96)50(31-43-13-7-6-8-14-43)73-55(88)35-81-23-25-82(36-56(89)90)27-29-84(38-58(93)94)30-28-83(26-24-81)37-57(91)92)65(99)75-51(32-44-18-20-46(87)21-19-44)63(97)76-52(33-45-34-72-48-16-10-9-15-47(45)48)64(98)74-49(61(95)79-59)17-11-12-22-71-69(104)105-70(3,4)5/h6-10,13-16,18-21,34,41-42,49-54,59-60,72,85-87H,11-12,17,22-33,35-40H2,1-5H3,(H,71,104)(H,73,88)(H,74,98)(H,75,99)(H,76,97)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,89,90)(H,91,92)(H,93,94)(H,102,103)/t41-,42-,49+,50-,51+,52+,53+,54-,59-,60+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand


Bioorg Med Chem Lett 8: 1207-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00187-5
BindingDB Entry DOI: 10.7270/Q2DB834V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311511
PNG
(CHEMBL1088171 | N-methyl-2-(2-oxo-3-(1-(spiro[5.5]...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC3(CCCCC3)C2)c1=O
Show InChI InChI=1S/C26H38N4O2/c1-27-24(31)19-29-22-9-3-4-10-23(22)30(25(29)32)20-11-16-28(17-12-20)21-8-7-15-26(18-21)13-5-2-6-14-26/h3-4,9-10,20-21H,2,5-8,11-19H2,1H3,(H,27,31)
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363515
PNG
(CHEMBL1946092)
Show SMILES CN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O/c1-25(16-17-8-3-2-4-9-17)23(27)19-11-7-13-21-22(19)18-10-5-6-12-20(18)26(21)15-14-24/h2-6,8-10,12,19H,7,11,13-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302764
PNG
(CHEMBL568865 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363521
PNG
(CHEMBL1946098)
Show SMILES CN(Cc1ccccc1)C(=O)C1CCCc2c1c1cc(F)ccc1n2CCF
Show InChI InChI=1S/C23H24F2N2O/c1-26(15-16-6-3-2-4-7-16)23(28)18-8-5-9-21-22(18)19-14-17(25)10-11-20(19)27(21)13-12-24/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15H2,1H3
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1.45n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363505
PNG
(CHEMBL1945635)
Show SMILES CCN(CC)C(=O)C1CCCc2c1c1cc(OC)c(F)cc1n2CCF
Show InChI InChI=1S/C20H26F2N2O2/c1-4-23(5-2)20(25)13-7-6-8-16-19(13)14-11-18(26-3)15(22)12-17(14)24(16)10-9-21/h11-13H,4-10H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302776
PNG
(4-((1-(2-(1H-imidazol-4-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cnc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-23(11-9-21)32(25-6-5-7-26(33)18-25)24-13-16-30(17-14-24)15-12-22-19-28-20-29-22/h5-11,18-20,24,33H,3-4,12-17H2,1-2H3,(H,28,29)
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1.60n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311475
PNG
(2-(3-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19+
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363513
PNG
(CHEMBL1946090)
Show SMILES CC(C)N(C(C)C)C(=O)C1CCCc2c1c1ccccc1n2CCF
Show InChI InChI=1S/C21H29FN2O/c1-14(2)24(15(3)4)21(25)17-9-7-11-19-20(17)16-8-5-6-10-18(16)23(19)13-12-22/h5-6,8,10,14-15,17H,7,9,11-13H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
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