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Compile Data Set for Download or QSAR

Found 3201 hits with Last Name = 'zhou' and Initial = 'x'   
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
Thymidylate synthase


(Homo sapiens (Human))
BDBM50040861
PNG
((S)-2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUIN...)
Show SMILES Cc1nc2ccc3ccc(CNc4ccc5C(=O)N(Cc5c4)[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1
Show InChI InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of TS by spectrophotometry


Bioorg Med Chem 19: 3585-94 (2011)


Article DOI: 10.1016/j.bmc.2011.03.067
BindingDB Entry DOI: 10.7270/Q22V2GGP
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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0.180n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of [3H]nociceptin binding to human Opioid receptor like 1


Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220380
PNG
(US9290488, ZA01)
Show SMILES NC1(CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O)C(O)=O
Show InChI InChI=1S/C30H41N5O3/c31-30(29(37)38)17-33(18-30)27-28(36)35(26-11-4-3-10-25(26)32-27)24-15-21-8-5-9-22(16-24)34(21)23-13-19-6-1-2-7-20(12-19)14-23/h3-4,10-11,19-24H,1-2,5-9,12-18,31H2,(H,37,38)/t19-,20+,21-,22+,23-,24+
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0.220 -55.1n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220382
PNG
(US9290488, ZA03)
Show SMILES CN(C)C1(CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O)C(O)=O
Show InChI InChI=1S/C32H45N5O3/c1-34(2)32(31(39)40)19-35(20-32)29-30(38)37(28-13-6-5-12-27(28)33-29)26-17-23-10-7-11-24(18-26)36(23)25-15-21-8-3-4-9-22(14-21)16-25/h5-6,12-13,21-26H,3-4,7-11,14-20H2,1-2H3,(H,39,40)/t21-,22+,23-,24+,25-,26+
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0.340 -54.0n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172430
PNG
(US9090618, ZA53 | US9598411, Ref. No. ZA53)
Show SMILES O=C1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)N1
Show InChI InChI=1S/C30H42N4O/c35-30-13-12-22(31-30)17-29-32-27-10-3-4-11-28(27)34(29)26-18-23-8-5-9-24(19-26)33(23)25-15-20-6-1-2-7-21(14-20)16-25/h3-4,10-11,20-26H,1-2,5-9,12-19H2,(H,31,35)/t20-,21+,22-,23-,24+,25-,26+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172430
PNG
(US9090618, ZA53 | US9598411, Ref. No. ZA53)
Show SMILES O=C1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)N1
Show InChI InChI=1S/C30H42N4O/c35-30-13-12-22(31-30)17-29-32-27-10-3-4-11-28(27)34(29)26-18-23-8-5-9-24(19-26)33(23)25-15-20-6-1-2-7-21(14-20)16-25/h3-4,10-11,20-26H,1-2,5-9,12-19H2,(H,31,35)/t20-,21+,22-,23-,24+,25-,26+/m0/s1
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0.800 -51.9n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220363
PNG
(US9290488, B20a(i))
Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@@H]2C(O)=O)c1=O
Show InChI InChI=1S/C31H40N4O3/c1-31-17-18-11-19(31)13-20(31)14-23(12-18)34-21-5-4-6-22(34)16-24(15-21)35-26-8-3-2-7-25(26)32-28(29(35)36)33-10-9-27(33)30(37)38/h2-3,7-8,18-24,27H,4-6,9-17H2,1H3,(H,37,38)/t18-,19+,20+,21-,22+,23-,24+,27-,31?/m1/s1
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0.890 -51.7n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172419
PNG
(US9090618, ZA42 | US9598411, Ref. No. ZA42)
Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
Show InChI InChI=1S/C30H39N5O/c1-36-29-19-31-27(18-32-29)30-33-26-11-4-5-12-28(26)35(30)25-16-22-9-6-10-23(17-25)34(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,18-25H,2-3,6-10,13-17H2,1H3/t20-,21+,22-,23+,24-,25+
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0.920n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172419
PNG
(US9090618, ZA42 | US9598411, Ref. No. ZA42)
Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
Show InChI InChI=1S/C30H39N5O/c1-36-29-19-31-27(18-32-29)30-33-26-11-4-5-12-28(26)35(30)25-16-22-9-6-10-23(17-25)34(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,18-25H,2-3,6-10,13-17H2,1H3/t20-,21+,22-,23+,24-,25+
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0.920 -51.6n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM303064
PNG
(US9598447, Ref No. FF)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(O)=O
Show InChI InChI=1S/C26H36N3O4P/c1-16-9-17-11-18(10-16)13-21(12-17)28-19-5-4-6-20(28)15-22(14-19)29-24-8-3-2-7-23(24)27-25(26(29)30)34(31,32)33/h2-3,7-8,16-22H,4-6,9-15H2,1H3,(H2,31,32,33)/t16-,17-,18+,19-,20+,21+,22+
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1n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220366
PNG
(US9290488, B34a)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(CC(O)=O)C2)c1=O
Show InChI InChI=1S/C31H42N4O3/c1-19-9-20-11-21(10-19)13-25(12-20)34-23-5-4-6-24(34)16-26(15-23)35-28-8-3-2-7-27(28)32-30(31(35)38)33-17-22(18-33)14-29(36)37/h2-3,7-8,19-26H,4-6,9-18H2,1H3,(H,36,37)/t19-,20-,21+,23-,24+,25+,26+
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1.03 -51.3n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172418
PNG
(US9090618, ZA41 | US9598411, Ref. No. ZA41)
Show SMILES C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cnccn1
Show InChI InChI=1S/C29H37N5/c1-2-7-21-14-20(6-1)15-24(16-21)33-22-8-5-9-23(33)18-25(17-22)34-28-11-4-3-10-26(28)32-29(34)27-19-30-12-13-31-27/h3-4,10-13,19-25H,1-2,5-9,14-18H2/t20-,21+,22-,23+,24-,25+
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1.15n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172418
PNG
(US9090618, ZA41 | US9598411, Ref. No. ZA41)
Show SMILES C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cnccn1
Show InChI InChI=1S/C29H37N5/c1-2-7-21-14-20(6-1)15-24(16-21)33-22-8-5-9-23(33)18-25(17-22)34-28-11-4-3-10-26(28)32-29(34)27-19-30-12-13-31-27/h3-4,10-13,19-25H,1-2,5-9,14-18H2/t20-,21+,22-,23+,24-,25+
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1.15 -51.0n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50184825
PNG
(Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-D-Thr(PO3H...)
Show SMILES C[C@@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C63H86N13O16PS2/c1-34(68-58(83)44(69-37(4)77)18-11-13-27-66-52(79)22-10-9-21-50-54-47(33-95-50)73-63(88)75-54)56(81)67-35(2)57(82)71-46(31-41-32-94-49-20-8-7-17-42(41)49)60(85)74-53(36(3)92-93(89,90)91)62(87)76-28-14-12-19-48(76)61(86)72-45(59(84)70-43(55(65)80)25-26-51(64)78)30-38-23-24-39-15-5-6-16-40(39)29-38/h5-8,15-17,20,23-24,29,32,34-36,43-48,50,53-54H,9-14,18-19,21-22,25-28,30-31,33H2,1-4H3,(H2,64,78)(H2,65,80)(H,66,79)(H,67,81)(H,68,83)(H,69,77)(H,70,84)(H,71,82)(H,72,86)(H,74,85)(H2,73,75,88)(H2,89,90,91)/t34-,35-,36+,43-,44-,45-,46-,47-,48-,50-,53+,54-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay


J Med Chem 49: 2147-50 (2006)


Article DOI: 10.1021/jm060036n
BindingDB Entry DOI: 10.7270/Q2S46RJP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake incubated for 5 mins by liquid sc...


Bioorg Med Chem Lett 26: 3603-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.010
BindingDB Entry DOI: 10.7270/Q2QC05FT
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220379
PNG
(US9290488, L29b)
Show SMILES OC(=O)CC1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C31H42N4O3/c36-29(37)15-22-18-33(19-22)30-31(38)35(28-11-4-3-10-27(28)32-30)26-16-23-8-5-9-24(17-26)34(23)25-13-20-6-1-2-7-21(12-20)14-25/h3-4,10-11,20-26H,1-2,5-9,12-19H2,(H,36,37)/t20-,21+,23-,24+,25-,26+
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1.32 -50.7n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220375
PNG
(US9290488, K2b(ii))
Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-7-3-4-8-25(24)33(28)23-16-20-9-10-21(17-23)32(20)22-14-18-5-1-2-6-19(13-18)15-22/h3-4,7-8,18-23,26H,1-2,5-6,9-17H2,(H,35,36)/t18-,19+,20-,21+,22-,23+,26-/m0/s1
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1.46 -50.4n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172382
PNG
(US9090618, H27b(i) | US9598411, Ref. No. H27b(i))
Show SMILES C1CNC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
Show InChI InChI=1S/C29H42N4/c1-2-8-21-15-20(7-1)16-24(17-21)32-22-9-5-10-23(32)19-25(18-22)33-28-13-4-3-11-26(28)31-29(33)27-12-6-14-30-27/h3-4,11,13,20-25,27,30H,1-2,5-10,12,14-19H2/t20-,21+,22-,23+,24-,25+,27?
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1.90 -49.8n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172382
PNG
(US9090618, H27b(i) | US9598411, Ref. No. H27b(i))
Show SMILES C1CNC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
Show InChI InChI=1S/C29H42N4/c1-2-8-21-15-20(7-1)16-24(17-21)32-22-9-5-10-23(32)19-25(18-22)33-28-13-4-3-11-26(28)31-29(33)27-12-6-14-30-27/h3-4,11,13,20-25,27,30H,1-2,5-10,12,14-19H2/t20-,21+,22-,23+,24-,25+,27?
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1.90n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220384
PNG
(US9290488, ZA05)
Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/m1/s1
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1.97 -49.7n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220385
PNG
(US9290488, ZA06)
Show SMILES CN[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C31H43N5O3/c1-32-26-18-34(28(26)31(38)39)29-30(37)36(27-12-5-4-11-25(27)33-29)24-16-21-9-6-10-22(17-24)35(21)23-14-19-7-2-3-8-20(13-19)15-23/h4-5,11-12,19-24,26,28,32H,2-3,6-10,13-18H2,1H3,(H,38,39)/t19-,20+,21-,22+,23-,24+,26-,28+/m1/s1
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1.98 -49.7n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220383
PNG
(US9290488, ZA04)
Show SMILES N[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C30H41N5O3/c31-24-17-33(27(24)30(37)38)28-29(36)35(26-11-4-3-10-25(26)32-28)23-15-20-8-5-9-21(16-23)34(20)22-13-18-6-1-2-7-19(12-18)14-22/h3-4,10-11,18-24,27H,1-2,5-9,12-17,31H2,(H,37,38)/t18-,19+,20-,21+,22-,23+,24-,27+/m1/s1
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1.98 -49.7n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172417
PNG
(US9090618, ZA40 | US9598411, Ref. No. ZA40)
Show SMILES C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1nnc[nH]1
Show InChI InChI=1S/C27H36N6/c1-2-7-19-12-18(6-1)13-22(14-19)32-20-8-5-9-21(32)16-23(15-20)33-25-11-4-3-10-24(25)30-27(33)26-28-17-29-31-26/h3-4,10-11,17-23H,1-2,5-9,12-16H2,(H,28,29,31)/t18-,19+,20-,21+,22-,23+
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2 -49.7n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172433
PNG
(US9090618, ZA56 | US9598411, Ref. No. ZA56)
Show SMILES C([C@@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
Show InChI InChI=1S/C30H44N4O/c1-2-7-22-14-21(6-1)15-26(16-22)33-24-8-5-9-25(33)19-27(18-24)34-29-11-4-3-10-28(29)32-30(34)17-23-20-35-13-12-31-23/h3-4,10-11,21-27,31H,1-2,5-9,12-20H2/t21-,22+,23-,24-,25+,26-,27+/m1/s1
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2.05n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172433
PNG
(US9090618, ZA56 | US9598411, Ref. No. ZA56)
Show SMILES C([C@@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
Show InChI InChI=1S/C30H44N4O/c1-2-7-22-14-21(6-1)15-26(16-22)33-24-8-5-9-25(33)19-27(18-24)34-29-11-4-3-10-28(29)32-30(34)17-23-20-35-13-12-31-23/h3-4,10-11,21-27,31H,1-2,5-9,12-20H2/t21-,22+,23-,24-,25+,26-,27+/m1/s1
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2.05 -49.6n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM147191
PNG
(US8957084, 4)
Show SMILES COc1ccc2C[C@@H]3C4C5CC5C(=C)CC4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C23H29NO/c1-14-12-23-7-8-24(13-15-3-4-15)21(22(23)19-11-18(14)19)9-16-5-6-17(25-2)10-20(16)23/h5-6,10,15,18-19,21-22H,1,3-4,7-9,11-13H2,2H3/t18?,19?,21-,22?,23?/m1/s1
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2.19 -49.4n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...


US Patent US8957084 (2015)


BindingDB Entry DOI: 10.7270/Q21Z433P
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172417
PNG
(US9090618, ZA40 | US9598411, Ref. No. ZA40)
Show SMILES C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1nnc[nH]1
Show InChI InChI=1S/C27H36N6/c1-2-7-19-12-18(6-1)13-22(14-19)32-20-8-5-9-21(32)16-23(15-20)33-25-11-4-3-10-24(25)30-27(33)26-28-17-29-31-26/h3-4,10-11,17-23H,1-2,5-9,12-16H2,(H,28,29,31)/t18-,19+,20-,21+,22-,23+
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2.20n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50049553
PNG
(CHEMBL2177428)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)
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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake incubated for 5 mins by liquid sc...


Bioorg Med Chem Lett 26: 3603-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.010
BindingDB Entry DOI: 10.7270/Q2QC05FT
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220362
PNG
(US9290488, B12a)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O
Show InChI InChI=1S/C30H40N4O3/c1-18-9-19-11-20(10-18)13-24(12-19)33-22-5-4-6-23(33)15-25(14-22)34-27-8-3-2-7-26(27)31-28(29(34)35)32-16-21(17-32)30(36)37/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,36,37)/t18-,19-,20+,22-,23+,24+,25+
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2.21 -49.4n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM303069
PNG
(US9598447, Ref No. PP)
Show SMILES CCOP(=O)(OCC)\C=C\c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3C[C@H](C)C[C@H](C3)C2)c1=O
Show InChI InChI=1S/C32H46N3O4P/c1-4-38-40(37,39-5-2)14-13-30-32(36)35(31-12-7-6-11-29(31)33-30)28-20-25-9-8-10-26(21-28)34(25)27-18-23-15-22(3)16-24(17-23)19-27/h6-7,11-14,22-28H,4-5,8-10,15-21H2,1-3H3/b14-13+/t22-,23-,24+,25-,26+,27+,28+
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2.5n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
κ-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned ...


US Patent US9598447 (2017)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM303069
PNG
(US9598447, Ref No. PP)
Show SMILES CCOP(=O)(OCC)\C=C\c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3C[C@H](C)C[C@H](C3)C2)c1=O
Show InChI InChI=1S/C32H46N3O4P/c1-4-38-40(37,39-5-2)14-13-30-32(36)35(31-12-7-6-11-29(31)33-30)28-20-25-9-8-10-26(21-28)34(25)27-18-23-15-22(3)16-24(17-23)19-27/h6-7,11-14,22-28H,4-5,8-10,15-21H2,1-3H3/b14-13+/t22-,23-,24+,25-,26+,27+,28+
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2.62n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220376
PNG
(US9290488, K29b)
Show SMILES OC(=O)CC1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C30H40N4O3/c35-28(36)14-21-17-32(18-21)29-30(37)34(27-8-4-3-7-26(27)31-29)25-15-22-9-10-23(16-25)33(22)24-12-19-5-1-2-6-20(11-19)13-24/h3-4,7-8,19-25H,1-2,5-6,9-18H2,(H,35,36)/t19-,20+,22-,23+,24-,25+
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2.64 -49.0n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172413
PNG
(US9090618, ZA35 | US9598411, Ref. No. ZA35)
Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1
Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?
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2.68n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172413
PNG
(US9090618, ZA35 | US9598411, Ref. No. ZA35)
Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1
Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?
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2.68 -48.9n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM303068
PNG
(US9598447, Ref No. OO)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(NCCP(O)(O)=O)c1=O
Show InChI InChI=1S/C28H41N4O4P/c1-18-11-19-13-20(12-18)15-23(14-19)31-21-5-4-6-22(31)17-24(16-21)32-26-8-3-2-7-25(26)30-27(28(32)33)29-9-10-37(34,35)36/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H,29,30)(H2,34,35,36)/t18-,19-,20+,21-,22+,23+,24+
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2.92n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-resiniferatoxin from human TRPV1 expressed in CHO cells incubated for 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 26: 3603-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.010
BindingDB Entry DOI: 10.7270/Q2QC05FT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM147190
PNG
(US8957084, 3)
Show SMILES COc1ccc2C[C@@H]3C4C5CC5C(CC4(CCN3CC3CC3)c2c1)OCC=C
Show InChI InChI=1S/C25H33NO2/c1-3-10-28-23-14-25-8-9-26(15-16-4-5-16)22(24(25)20-13-19(20)23)11-17-6-7-18(27-2)12-21(17)25/h3,6-7,12,16,19-20,22-24H,1,4-5,8-11,13-15H2,2H3/t19?,20?,22-,23?,24?,25?/m1/s1
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3.04 -48.6n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant...


US Patent US8957084 (2015)


BindingDB Entry DOI: 10.7270/Q21Z433P
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220377
PNG
(US9290488, L2b(i))
Show SMILES OC(=O)[C@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C30H40N4O3/c35-29-28(32-13-12-27(32)30(36)37)31-25-10-3-4-11-26(25)34(29)24-17-21-8-5-9-22(18-24)33(21)23-15-19-6-1-2-7-20(14-19)16-23/h3-4,10-11,19-24,27H,1-2,5-9,12-18H2,(H,36,37)/t19-,20+,21-,22+,23-,24+,27-/m1/s1
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3.07 -48.6n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220381
PNG
(US9290488, ZA02)
Show SMILES CC(=O)N[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C32H43N5O4/c1-19(38)33-27-18-35(29(27)32(40)41)30-31(39)37(28-12-5-4-11-26(28)34-30)25-16-22-9-6-10-23(17-25)36(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,20-25,27,29H,2-3,6-10,13-18H2,1H3,(H,33,38)(H,40,41)/t20-,21+,22-,23+,24-,25+,27-,29+/m1/s1
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3.14 -48.5n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM303071
PNG
(US9598447, Ref No. TT)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(CCP(O)(O)=O)c1=O
Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+
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3.40n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220386
PNG
(US9290488, ZA07)
Show SMILES CO[C@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C31H42N4O4/c1-39-27-18-33(28(27)31(37)38)29-30(36)35(26-12-5-4-11-25(26)32-29)24-16-21-9-6-10-22(17-24)34(21)23-14-19-7-2-3-8-20(13-19)15-23/h4-5,11-12,19-24,27-28H,2-3,6-10,13-18H2,1H3,(H,37,38)/t19-,20+,21-,22+,23-,24+,27-,28-/m0/s1
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3.56 -48.2n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM220378
PNG
(US9290488, L2b(ii))
Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
Show InChI InChI=1S/C30H40N4O3/c35-29-28(32-13-12-27(32)30(36)37)31-25-10-3-4-11-26(25)34(29)24-17-21-8-5-9-22(18-24)33(21)23-15-19-6-1-2-7-20(14-19)16-23/h3-4,10-11,19-24,27H,1-2,5-9,12-18H2,(H,36,37)/t19-,20+,21-,22+,23-,24+,27-/m0/s1
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3.78 -48.1n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...


US Patent US9290488 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SCW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172438
PNG
(US9090618, ZA61 | US9598411, Ref. No. ZA61)
Show SMILES Cc1nnc(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)[nH]1
Show InChI InChI=1S/C29H40N6/c1-19-30-28(33-32-19)18-29-31-26-11-4-5-12-27(26)35(29)25-16-22-9-6-10-23(17-25)34(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,20-25H,2-3,6-10,13-18H2,1H3,(H,30,32,33)/t20-,21+,22-,23+,24-,25+
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3.80n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172438
PNG
(US9090618, ZA61 | US9598411, Ref. No. ZA61)
Show SMILES Cc1nnc(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)[nH]1
Show InChI InChI=1S/C29H40N6/c1-19-30-28(33-32-19)18-29-31-26-11-4-5-12-27(26)35(29)25-16-22-9-6-10-23(17-25)34(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,20-25H,2-3,6-10,13-18H2,1H3,(H,30,32,33)/t20-,21+,22-,23+,24-,25+
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3.80 -48.1n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153127
PNG
(2-{1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(N)=O)S1(=O)=O
Show InChI InChI=1S/C23H36N4O3S/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)27-22-6-4-3-5-19(22)15-26(16-23(24)28)31(27,29)30/h3-6,17-18,20-21H,7-16H2,1-2H3,(H2,24,28)
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3.90n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of [3H]nociceptin binding to human Opioid receptor like 1


Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172440
PNG
(US9090618, ZA63 | US9598411, Ref. No. ZA63)
Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1
Show InChI InChI=1S/C29H37N5O/c1-35-28-18-30-26(17-31-28)29-32-25-10-2-3-11-27(25)34(29)24-15-21-8-5-9-22(16-24)33(21)23-13-19-6-4-7-20(12-19)14-23/h2-3,10-11,17-24H,4-9,12-16H2,1H3/t19-,20+,21-,22+,23+,24+
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4.11 -47.9n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172440
PNG
(US9090618, ZA63 | US9598411, Ref. No. ZA63)
Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1
Show InChI InChI=1S/C29H37N5O/c1-35-28-18-30-26(17-31-28)29-32-25-10-2-3-11-27(25)34(29)24-15-21-8-5-9-22(16-24)33(21)23-13-19-6-4-7-20(12-19)14-23/h2-3,10-11,17-24H,4-9,12-16H2,1H3/t19-,20+,21-,22+,23+,24+
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4.11n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172444
PNG
(US9090618, ZA67 | US9598411, Ref. No. ZA67)
Show SMILES Cc1cc(no1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1
Show InChI InChI=1S/C28H36N4O/c1-18-12-26(30-33-18)28-29-25-10-2-3-11-27(25)32(28)24-16-21-8-5-9-22(17-24)31(21)23-14-19-6-4-7-20(13-19)15-23/h2-3,10-12,19-24H,4-9,13-17H2,1H3/t19-,20+,21-,22+,23+,24+
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4.20 -47.8n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172444
PNG
(US9090618, ZA67 | US9598411, Ref. No. ZA67)
Show SMILES Cc1cc(no1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1
Show InChI InChI=1S/C28H36N4O/c1-18-12-26(30-33-18)28-29-25-10-2-3-11-27(25)32(28)24-16-21-8-5-9-22(17-24)31(21)23-14-19-6-4-7-20(13-19)15-23/h2-3,10-12,19-24H,4-9,13-17H2,1H3/t19-,20+,21-,22+,23+,24+
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4.20n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM172437
PNG
(US9090618, ZA60 | US9598411, Ref. No. ZA60)
Show SMILES C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1
Show InChI InChI=1S/C30H39N5/c1-2-7-22-14-21(6-1)15-26(16-22)34-24-8-5-9-25(34)19-27(18-24)35-29-11-4-3-10-28(29)33-30(35)17-23-20-31-12-13-32-23/h3-4,10-13,20-22,24-27H,1-2,5-9,14-19H2/t21-,22+,24-,25+,26-,27+
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US Patent
4.5n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)

More data for this
Ligand-Target Pair
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