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Compile Data Set for Download or QSAR

Found 1274 hits from Banyu Tsukuba Research Institute   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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2.10n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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3.30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M1


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M4


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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17n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS to membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M2


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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47n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS to membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M2


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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60n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M4


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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74n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M4


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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77n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M1


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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200n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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270n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS to membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M2


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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300n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M1


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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1.10E+3n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50181395
PNG
(1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on nociceptin-induced [35S]GTPgammaS binding to ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50181392
PNG
((R)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-...)
Show SMILES O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on nociceptin-induced [35S]GTPgammaS binding to ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (human))
BDBM50181395
PNG
(1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-nociceptin from cloned human ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50181392
PNG
((R)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-...)
Show SMILES O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-nociceptin from cloned human ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50098643
PNG
(1-((E)-1-Cyclooct-1-enyl)methyl-4-[(2,7-dichloro-9...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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n/an/a 0.580n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 1219-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00176-7
BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 0.660n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 0.660n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098643
PNG
(1-((E)-1-Cyclooct-1-enyl)methyl-4-[(2,7-dichloro-9...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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n/an/a 0.900n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 1219-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00176-7
BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50265209
PNG
(1'-(5-chloro-1H-benzo[d]imidazol-2-yl)-3H-spiro[is...)
Show SMILES Clc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C19H16ClN3O2/c20-12-5-6-15-16(11-12)22-18(21-15)23-9-7-19(8-10-23)14-4-2-1-3-13(14)17(24)25-19/h1-6,11H,7-10H2,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264726
PNG
(1'-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-3H-spir...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C19H15Cl2N3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)
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n/an/a 1.40n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50296914
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-isopropyl-1...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Show InChI InChI=1S/C23H27ClFN5/c1-14(2)22-20(13-28-17-8-7-16(25)11-17)29-23(21-19(24)5-4-10-26-21)30(22)18-9-6-15(3)27-12-18/h4-6,9-10,12,14,16-17,28H,7-8,11,13H2,1-3H3/t16-,17+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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n/an/a 1.5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50083230
PNG
(1-((3R,4R)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on nociceptin-induced [35S]GTPgammaS binding to ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6632
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1
Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264726
PNG
(1'-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-3H-spir...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C19H15Cl2N3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)
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n/an/a 1.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264364
PNG
(CHEMBL491229 | trans-4-[5-(4-Fluoro-phenyl)-1H-ben...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C26H21FN2O2/c27-19-8-5-16(6-9-19)18-7-10-22-23(15-18)29-24(28-22)17-11-13-26(14-12-17)21-4-2-1-3-20(21)25(30)31-26/h1-10,15,17H,11-14H2,(H,28,29)/t17-,26-
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n/an/a 1.70n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50265267
PNG
(1'-(5-phenyl-1H-benzo[d]imidazol-2-yl)-3H-spiro[is...)
Show SMILES O=C1OC2(CCN(CC2)c2nc3cc(ccc3[nH]2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21N3O2/c29-23-19-8-4-5-9-20(19)25(30-23)12-14-28(15-13-25)24-26-21-11-10-18(16-22(21)27-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50373360
PNG
(CHEMBL263917)
Show SMILES CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C20H29ClN4OS/c1-20(5-3-2-4-6-20)27-19-22-16-13-15(21)18(14-17(16)23-19)25-9-7-24(8-10-25)11-12-26/h13-14,26H,2-12H2,1H3,(H,22,23)
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n/an/a 1.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50373360
PNG
(CHEMBL263917)
Show SMILES CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C20H29ClN4OS/c1-20(5-3-2-4-6-20)27-19-22-16-13-15(21)18(14-17(16)23-19)25-9-7-24(8-10-25)11-12-26/h13-14,26H,2-12H2,1H3,(H,22,23)
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n/an/a 1.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50265297
PNG
(1'-(5-isobutyl-1H-benzo[d]imidazol-2-yl)-3H-spiro[...)
Show SMILES CC(C)Cc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C23H25N3O2/c1-15(2)13-16-7-8-19-20(14-16)25-22(24-19)26-11-9-23(10-12-26)18-6-4-3-5-17(18)21(27)28-23/h3-8,14-15H,9-13H2,1-2H3,(H,24,25)
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n/an/a 1.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50265299
PNG
(CHEMBL524644 | ethyl 2-(3-oxo-3H-spiro[isobenzofur...)
Show SMILES CCOC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C22H21N3O4/c1-2-28-19(26)14-7-8-17-18(13-14)24-21(23-17)25-11-9-22(10-12-25)16-6-4-3-5-15(16)20(27)29-22/h3-8,13H,2,9-12H2,1H3,(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50373365
PNG
(CHEMBL258710)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCNCC1
Show InChI InChI=1S/C16H23ClN4S/c1-3-11(4-2)22-16-19-13-9-12(17)15(10-14(13)20-16)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3,(H,19,20)
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n/an/a 2.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264493
PNG
(CHEMBL489608 | trans-4-[5-(5-Trifluoromethyl-[1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C23H17F3N4O3/c24-23(25,26)21-29-19(30-33-21)13-5-6-16-17(11-13)28-18(27-16)12-7-9-22(10-8-12)15-4-2-1-3-14(15)20(31)32-22/h1-6,11-12H,7-10H2,(H,27,28)/t12-,22-
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n/an/a 2.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264441
PNG
(CHEMBL491239 | trans-6-Chloro-2-(3'-oxo-3'H-spiro[...)
Show SMILES COC(=O)c1cc2[nH]c(nc2cc1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C22H19ClN2O4/c1-28-20(26)14-10-17-18(11-16(14)23)25-19(24-17)12-6-8-22(9-7-12)15-5-3-2-4-13(15)21(27)29-22/h2-5,10-12H,6-9H2,1H3,(H,24,25)/t12-,22-
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264395
PNG
(CHEMBL490824 | trans-4-(5-Chloro-6-phenyl-1H-benzo...)
Show SMILES Clc1cc2[nH]c(nc2cc1-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C26H21ClN2O2/c27-21-15-23-22(14-19(21)16-6-2-1-3-7-16)28-24(29-23)17-10-12-26(13-11-17)20-9-5-4-8-18(20)25(30)31-26/h1-9,14-15,17H,10-13H2,(H,28,29)/t17-,26-
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264853
PNG
(1'-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazo...)
Show SMILES FC1(F)Oc2cc3nc([nH]c3cc2O1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C20H15F2N3O4/c21-20(22)27-15-9-13-14(10-16(15)28-20)24-18(23-13)25-7-5-19(6-8-25)12-4-2-1-3-11(12)17(26)29-19/h1-4,9-10H,5-8H2,(H,23,24)
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50099482
PNG
(2-(6-Amino-benzothiazol-2-ylsulfanyl)-N-[1-(3,4-di...)
Show SMILES Nc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show InChI InChI=1S/C21H22Cl2N4OS2/c22-16-3-1-13(9-17(16)23)11-27-7-5-15(6-8-27)25-20(28)12-29-21-26-18-4-2-14(24)10-19(18)30-21/h1-4,9-10,15H,5-8,11-12,24H2,(H,25,28)
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n/an/a 2.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 1219-23 (2001)


Article DOI: 10.1016/s0960-894x(01)00176-7
BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50296914
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-isopropyl-1...)
Show SMILES CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Show InChI InChI=1S/C23H27ClFN5/c1-14(2)22-20(13-28-17-8-7-16(25)11-17)29-23(21-19(24)5-4-10-26-21)30(22)18-9-6-15(3)27-12-18/h4-6,9-10,12,14,16-17,28H,7-8,11,13H2,1-3H3/t16-,17+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned ORL1 receptor expressed in CHO cells assessed as inhibition of nociceptin/orphanin FQ-stimulated [35S]GTPgammaS b...


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50264328
PNG
(CHEMBL489587 | trans-4-(5-Phenyl-1H-benzoimidazol-...)
Show SMILES O=C1O[C@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H22N2O2/c29-25-20-8-4-5-9-21(20)26(30-25)14-12-18(13-15-26)24-27-22-11-10-19(16-23(22)28-24)17-6-2-1-3-7-17/h1-11,16,18H,12-15H2,(H,27,28)/t18-,26-
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n/an/a 2.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50296912
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-ethyl-1-(6-...)
Show SMILES CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Show InChI InChI=1S/C22H25ClFN5/c1-3-20-19(13-27-16-8-7-15(24)11-16)28-22(21-18(23)5-4-10-25-21)29(20)17-9-6-14(2)26-12-17/h4-6,9-10,12,15-16,27H,3,7-8,11,13H2,1-2H3/t15-,16+/m1/s1
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Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned ORL1 receptor expressed in CHO cells assessed as inhibition of nociceptin/orphanin FQ-stimulated [35S]GTPgammaS b...


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair
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