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PubMed code 20875743

Compile data set for download or QSAR
Found 90 hits of Enzyme Inhibition Constant Data   
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
Nociceptin receptor


(Homo sapiens (human))
BDBM50335574
PNG
((1-{4-[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]pip...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-22-12-10-21(11-13-22)26-29-24-8-4-5-9-25(24)31(26)23-14-18-30(19-15-23)27(20-32)16-6-2-1-3-7-17-27/h4-5,8-13,23,32H,1-3,6-7,14-20H2
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0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335575
PNG
((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3O/c28-22-18-20(10-11-23(22)29)26-30-24-8-4-5-9-25(24)32(26)21-12-16-31(17-13-21)27(19-33)14-6-2-1-3-7-15-27/h4-5,8-11,18,21,33H,1-3,6-7,12-17,19H2
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0.730n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335568
PNG
((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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0.960n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335570
PNG
(CHEMBL1650844 | {1-[4-(2-{Hexahydropyrrolo[3,4-c]p...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C27H41N5O/c33-20-27(12-6-2-1-3-7-13-27)31-14-10-23(11-15-31)32-25-9-5-4-8-24(25)29-26(32)30-18-21-16-28-17-22(21)19-30/h4-5,8-9,21-23,28,33H,1-3,6-7,10-20H2
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335576
PNG
((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...)
Show SMILES OCC1(CCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C25H29ClFN3O/c26-20-16-18(8-9-21(20)27)24-28-22-6-2-3-7-23(22)30(24)19-10-14-29(15-11-19)25(17-31)12-4-1-5-13-25/h2-3,6-9,16,19,31H,1,4-5,10-15,17H2
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4.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335567
PNG
((1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-28-17-19-29(20-18-28)25-27-23-9-5-6-10-24(23)31(25)22-11-15-30(16-12-22)26(21-32)13-7-3-2-4-8-14-26/h5-6,9-10,22,32H,2-4,7-8,11-21H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335569
PNG
(1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)
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4.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335573
PNG
((1-{4-[2-(3,3-Dimethylpiperazin-1-yl)-1H-benzimida...)
Show SMILES CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335571
PNG
(CHEMBL1650845 | {1-[4-(2-{5-Benzylhexahydropyrrolo...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
Show InChI InChI=1S/C34H47N5O/c40-26-34(17-9-2-1-3-10-18-34)38-19-15-30(16-20-38)39-32-14-8-7-13-31(32)35-33(39)37-24-28-22-36(23-29(28)25-37)21-27-11-5-4-6-12-27/h4-8,11-14,28-30,40H,1-3,9-10,15-26H2
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6.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335569
PNG
(1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)
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16n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335571
PNG
(CHEMBL1650845 | {1-[4-(2-{5-Benzylhexahydropyrrolo...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
Show InChI InChI=1S/C34H47N5O/c40-26-34(17-9-2-1-3-10-18-34)38-19-15-30(16-20-38)39-32-14-8-7-13-31(32)35-33(39)37-24-28-22-36(23-29(28)25-37)21-27-11-5-4-6-12-27/h4-8,11-14,28-30,40H,1-3,9-10,15-26H2
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39n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335572
PNG
(CHEMBL1650846 | Methyl 1-{4-[2-(4-methylpiperazin-...)
Show SMILES COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C27H41N5O2/c1-29-18-20-30(21-19-29)26-28-23-10-6-7-11-24(23)32(26)22-12-16-31(17-13-22)27(25(33)34-2)14-8-4-3-5-9-15-27/h6-7,10-11,22H,3-5,8-9,12-21H2,1-2H3
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81n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335571
PNG
(CHEMBL1650845 | {1-[4-(2-{5-Benzylhexahydropyrrolo...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
Show InChI InChI=1S/C34H47N5O/c40-26-34(17-9-2-1-3-10-18-34)38-19-15-30(16-20-38)39-32-14-8-7-13-31(32)35-33(39)37-24-28-22-36(23-29(28)25-37)21-27-11-5-4-6-12-27/h4-8,11-14,28-30,40H,1-3,9-10,15-26H2
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128n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335574
PNG
((1-{4-[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]pip...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-22-12-10-21(11-13-22)26-29-24-8-4-5-9-25(24)31(26)23-14-18-30(19-15-23)27(20-32)16-6-2-1-3-7-17-27/h4-5,8-13,23,32H,1-3,6-7,14-20H2
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178n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335570
PNG
(CHEMBL1650844 | {1-[4-(2-{Hexahydropyrrolo[3,4-c]p...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C27H41N5O/c33-20-27(12-6-2-1-3-7-13-27)31-14-10-23(11-15-31)32-25-9-5-4-8-24(25)29-26(32)30-18-21-16-28-17-22(21)19-30/h4-5,8-9,21-23,28,33H,1-3,6-7,10-20H2
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201n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335574
PNG
((1-{4-[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]pip...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-22-12-10-21(11-13-22)26-29-24-8-4-5-9-25(24)31(26)23-14-18-30(19-15-23)27(20-32)16-6-2-1-3-7-17-27/h4-5,8-13,23,32H,1-3,6-7,14-20H2
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205n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335567
PNG
((1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-28-17-19-29(20-18-28)25-27-23-9-5-6-10-24(23)31(25)22-11-15-30(16-12-22)26(21-32)13-7-3-2-4-8-14-26/h5-6,9-10,22,32H,2-4,7-8,11-21H2,1H3
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229n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335569
PNG
(1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)
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239n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335577
PNG
(1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-1...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O
Show InChI InChI=1S/C26H39N5O2/c1-28-17-19-29(20-18-28)25-27-22-9-5-6-10-23(22)31(25)21-11-15-30(16-12-21)26(24(32)33)13-7-3-2-4-8-14-26/h5-6,9-10,21H,2-4,7-8,11-20H2,1H3,(H,32,33)
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>250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335571
PNG
(CHEMBL1650845 | {1-[4-(2-{5-Benzylhexahydropyrrolo...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
Show InChI InChI=1S/C34H47N5O/c40-26-34(17-9-2-1-3-10-18-34)38-19-15-30(16-20-38)39-32-14-8-7-13-31(32)35-33(39)37-24-28-22-36(23-29(28)25-37)21-27-11-5-4-6-12-27/h4-8,11-14,28-30,40H,1-3,9-10,15-26H2
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258n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335568
PNG
((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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275n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335575
PNG
((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3O/c28-22-18-20(10-11-23(22)29)26-30-24-8-4-5-9-25(24)32(26)21-12-16-31(17-13-21)27(19-33)14-6-2-1-3-7-15-27/h4-5,8-11,18,21,33H,1-3,6-7,12-17,19H2
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302n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335572
PNG
(CHEMBL1650846 | Methyl 1-{4-[2-(4-methylpiperazin-...)
Show SMILES COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C27H41N5O2/c1-29-18-20-30(21-19-29)26-28-23-10-6-7-11-24(23)32(26)22-12-16-31(17-13-22)27(25(33)34-2)14-8-4-3-5-9-15-27/h6-7,10-11,22H,3-5,8-9,12-21H2,1-2H3
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312n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335567
PNG
((1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-28-17-19-29(20-18-28)25-27-23-9-5-6-10-24(23)31(25)22-11-15-30(16-12-22)26(21-32)13-7-3-2-4-8-14-26/h5-6,9-10,22,32H,2-4,7-8,11-21H2,1H3
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333n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335573
PNG
((1-{4-[2-(3,3-Dimethylpiperazin-1-yl)-1H-benzimida...)
Show SMILES CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3
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387n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335572
PNG
(CHEMBL1650846 | Methyl 1-{4-[2-(4-methylpiperazin-...)
Show SMILES COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C27H41N5O2/c1-29-18-20-30(21-19-29)26-28-23-10-6-7-11-24(23)32(26)22-12-16-31(17-13-22)27(25(33)34-2)14-8-4-3-5-9-15-27/h6-7,10-11,22H,3-5,8-9,12-21H2,1-2H3
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>450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335577
PNG
(1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-1...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O
Show InChI InChI=1S/C26H39N5O2/c1-28-17-19-29(20-18-28)25-27-22-9-5-6-10-23(22)31(25)21-11-15-30(16-12-21)26(24(32)33)13-7-3-2-4-8-14-26/h5-6,9-10,21H,2-4,7-8,11-20H2,1H3,(H,32,33)
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>450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335573
PNG
((1-{4-[2-(3,3-Dimethylpiperazin-1-yl)-1H-benzimida...)
Show SMILES CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3
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>450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335576
PNG
((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...)
Show SMILES OCC1(CCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C25H29ClFN3O/c26-20-16-18(8-9-21(20)27)24-28-22-6-2-3-7-23(22)30(24)19-10-14-29(15-11-19)25(17-31)12-4-1-5-13-25/h2-3,6-9,16,19,31H,1,4-5,10-15,17H2
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>450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335568
PNG
((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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>450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335568
PNG
((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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>500n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335573
PNG
((1-{4-[2-(3,3-Dimethylpiperazin-1-yl)-1H-benzimida...)
Show SMILES CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335572
PNG
(CHEMBL1650846 | Methyl 1-{4-[2-(4-methylpiperazin-...)
Show SMILES COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C27H41N5O2/c1-29-18-20-30(21-19-29)26-28-23-10-6-7-11-24(23)32(26)22-12-16-31(17-13-22)27(25(33)34-2)14-8-4-3-5-9-15-27/h6-7,10-11,22H,3-5,8-9,12-21H2,1-2H3
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>570n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335574
PNG
((1-{4-[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]pip...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-22-12-10-21(11-13-22)26-29-24-8-4-5-9-25(24)31(26)23-14-18-30(19-15-23)27(20-32)16-6-2-1-3-7-17-27/h4-5,8-13,23,32H,1-3,6-7,14-20H2
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>570n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335577
PNG
(1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-1...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O
Show InChI InChI=1S/C26H39N5O2/c1-28-17-19-29(20-18-28)25-27-22-9-5-6-10-23(22)31(25)21-11-15-30(16-12-21)26(24(32)33)13-7-3-2-4-8-14-26/h5-6,9-10,21H,2-4,7-8,11-20H2,1H3,(H,32,33)
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>570n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335570
PNG
(CHEMBL1650844 | {1-[4-(2-{Hexahydropyrrolo[3,4-c]p...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C27H41N5O/c33-20-27(12-6-2-1-3-7-13-27)31-14-10-23(11-15-31)32-25-9-5-4-8-24(25)29-26(32)30-18-21-16-28-17-22(21)19-30/h4-5,8-9,21-23,28,33H,1-3,6-7,10-20H2
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>577n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335567
PNG
((1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-28-17-19-29(20-18-28)25-27-23-9-5-6-10-24(23)31(25)22-11-15-30(16-12-22)26(21-32)13-7-3-2-4-8-14-26/h5-6,9-10,22,32H,2-4,7-8,11-21H2,1H3
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679n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50335570
PNG
(CHEMBL1650844 | {1-[4-(2-{Hexahydropyrrolo[3,4-c]p...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C27H41N5O/c33-20-27(12-6-2-1-3-7-13-27)31-14-10-23(11-15-31)32-25-9-5-4-8-24(25)29-26(32)30-18-21-16-28-17-22(21)19-30/h4-5,8-9,21-23,28,33H,1-3,6-7,10-20H2
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3.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335570
PNG
(CHEMBL1650844 | {1-[4-(2-{Hexahydropyrrolo[3,4-c]p...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C27H41N5O/c33-20-27(12-6-2-1-3-7-13-27)31-14-10-23(11-15-31)32-25-9-5-4-8-24(25)29-26(32)30-18-21-16-28-17-22(21)19-30/h4-5,8-9,21-23,28,33H,1-3,6-7,10-20H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50335569
PNG
(1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 0.00490n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase A


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 0.0170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human monoamine oxidase B


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel


(RAT)
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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n/an/a 0.0240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SK Calcium channel


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
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n/an/a 0.0430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human angiotensin II AT2 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human angiotensin II AT1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Tyrosine 3-hydroxylase


(Rattus norvegicus)
BDBM37633
PNG
((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...)
Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat tyrosine hydroxylase


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | MEPYRAMIN...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of guinea pig histamine H1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat histamine H3 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50335566
PNG
(CHEMBL1651026 | Substance P [Sar9,Met(O2)11])
Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human tachykinin NK1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha2 adrenoceptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT2A receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50292408
PNG
((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene D4 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 7.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine transporter


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 7.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT transporter


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50366495
PNG
(CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50366495
PNG
(CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cannabinoid CB1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50176062
PNG
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)
Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aorepinephrine transporter


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A1 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50064176
PNG
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M2 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human estrogen receptor beta


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of guinea pig histamine H2 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha1 adrenoceptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335573
PNG
((1-{4-[2-(3,3-Dimethylpiperazin-1-yl)-1H-benzimida...)
Show SMILES CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C27H43N5O/c1-26(2)20-30(19-16-28-26)25-29-23-10-6-7-11-24(23)32(25)22-12-17-31(18-13-22)27(21-33)14-8-4-3-5-9-15-27/h6-7,10-11,22,28,33H,3-5,8-9,12-21H2,1-2H3
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n/an/an/an/a 23n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335567
PNG
((1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-28-17-19-29(20-18-28)25-27-23-9-5-6-10-24(23)31(25)22-11-15-30(16-12-22)26(21-32)13-7-3-2-4-8-14-26/h5-6,9-10,22,32H,2-4,7-8,11-21H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human KOP receptor expressed in HEK-293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillati...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335570
PNG
(CHEMBL1650844 | {1-[4-(2-{Hexahydropyrrolo[3,4-c]p...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C27H41N5O/c33-20-27(12-6-2-1-3-7-13-27)31-14-10-23(11-15-31)32-25-9-5-4-8-24(25)29-26(32)30-18-21-16-28-17-22(21)19-30/h4-5,8-9,21-23,28,33H,1-3,6-7,10-20H2
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n/an/an/an/a 12n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335568
PNG
((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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n/an/an/an/a 1.77E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MOP receptor expressed in CHO-K1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335568
PNG
((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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n/an/an/an/a 38n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335569
PNG
(1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)
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n/an/an/an/a 144n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MOP receptor expressed in CHO-K1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335570
PNG
(CHEMBL1650844 | {1-[4-(2-{Hexahydropyrrolo[3,4-c]p...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C27H41N5O/c33-20-27(12-6-2-1-3-7-13-27)31-14-10-23(11-15-31)32-25-9-5-4-8-24(25)29-26(32)30-18-21-16-28-17-22(21)19-30/h4-5,8-9,21-23,28,33H,1-3,6-7,10-20H2
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n/an/an/an/a 3.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MOP receptor expressed in CHO-K1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335574
PNG
((1-{4-[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]pip...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-22-12-10-21(11-13-22)26-29-24-8-4-5-9-25(24)31(26)23-14-18-30(19-15-23)27(20-32)16-6-2-1-3-7-17-27/h4-5,8-13,23,32H,1-3,6-7,14-20H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MOP receptor expressed in CHO-K1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335568
PNG
((1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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n/an/an/an/a 366n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human KOP receptor expressed in HEK-293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillati...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50335569
PNG
(1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)
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n/an/an/an/a 194n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human KOP receptor expressed in HEK-293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillati...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335575
PNG
((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3O/c28-22-18-20(10-11-23(22)29)26-30-24-8-4-5-9-25(24)32(26)21-12-16-31(17-13-21)27(19-33)14-6-2-1-3-7-15-27/h4-5,8-11,18,21,33H,1-3,6-7,12-17,19H2
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n/an/an/an/a 8.90n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50335575
PNG
((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3O/c28-22-18-20(10-11-23(22)29)26-30-24-8-4-5-9-25(24)32(26)21-12-16-31(17-13-21)27(19-33)14-6-2-1-3-7-15-27/h4-5,8-11,18,21,33H,1-3,6-7,12-17,19H2
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n/an/an/an/a 1.22E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MOP receptor expressed in CHO-K1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335574
PNG
((1-{4-[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]pip...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-22-12-10-21(11-13-22)26-29-24-8-4-5-9-25(24)31(26)23-14-18-30(19-15-23)27(20-32)16-6-2-1-3-7-17-27/h4-5,8-13,23,32H,1-3,6-7,14-20H2
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n/an/an/an/a 9.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335569
PNG
(1-{1-[1-(Hydroxymethyl)cyclooctyl]piperidin-4-yl}-...)
Show SMILES OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H31N3O2/c25-16-21(12-6-2-1-3-7-13-21)23-14-10-17(11-15-23)24-19-9-5-4-8-18(19)22-20(24)26/h4-5,8-9,17,25H,1-3,6-7,10-16H2,(H,22,26)
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n/an/an/an/a 37n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335567
PNG
((1-{4-[2-(4-Methylpiperazin-1-yl)-1H-benzimidazol-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
Show InChI InChI=1S/C26H41N5O/c1-28-17-19-29(20-18-28)25-27-23-9-5-6-10-24(23)31(25)22-11-15-30(16-12-22)26(21-32)13-7-3-2-4-8-14-26/h5-6,9-10,22,32H,2-4,7-8,11-21H2,1H3
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n/an/an/an/a 17n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50335576
PNG
((1-{4-[2-(3-Chloro-4-fluorophenyl)-1H-benzimidazol...)
Show SMILES OCC1(CCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C25H29ClFN3O/c26-20-16-18(8-9-21(20)27)24-28-22-6-2-3-7-23(22)30(24)19-10-14-29(15-11-19)25(17-31)12-4-1-5-13-25/h2-3,6-9,16,19,31H,1,4-5,10-15,17H2
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n/an/an/an/a 53n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%