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Compile Data Set for Download or QSAR

Found 1107 hits with Last Name = 'cui' and Initial = 'y'   
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50057015
PNG
(CHEMBL3331617)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)C#N
Show InChI InChI=1S/C15H12N2O3Se/c1-3-6-20-12-5-4-10(7-11(12)8-16)14-17-9(2)13(21-14)15(18)19/h3-5,7H,1,6H2,2H3,(H,18,19)
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0.900n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation by Lineweaver-Burk plot


Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311944
PNG
(US10166214, Example 80 | US9789082, Example 80)
Show SMILES Cc1ncc(c2ccccc12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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1.20n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311944
PNG
(US10166214, Example 80 | US9789082, Example 80)
Show SMILES Cc1ncc(c2ccccc12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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1.20n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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1.85n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50057015
PNG
(CHEMBL3331617)
Show SMILES Cc1nc([se]c1C(O)=O)-c1ccc(OCC=C)c(c1)C#N
Show InChI InChI=1S/C15H12N2O3Se/c1-3-6-20-12-5-4-10(7-11(12)8-16)14-17-9(2)13(21-14)15(18)19/h3-5,7H,1,6H2,2H3,(H,18,19)
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2.30n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation by secondary Lineweaver-Burk plot


Eur J Med Chem 85: 508-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.014
BindingDB Entry DOI: 10.7270/Q2HX1F9C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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2.33n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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2.46n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311888
PNG
(US10166214, Example 24 | US9789082, Example 24)
Show SMILES CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)c1nccc2ccccc12 |r|
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2.90n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311888
PNG
(US10166214, Example 24 | US9789082, Example 24)
Show SMILES CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)c1nccc2ccccc12 |r|
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2.90n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311990
PNG
(US10166214, Example 126 | US9789082, Example 126)
Show SMILES Cc1cccn2c(ncc12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311990
PNG
(US10166214, Example 126 | US9789082, Example 126)
Show SMILES Cc1cccn2c(ncc12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311971
PNG
(US10166214, Example 107 | US9789082, Example 107)
Show SMILES Cc1cccc2c(nn(C)c12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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3.40n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311971
PNG
(US10166214, Example 107 | US9789082, Example 107)
Show SMILES Cc1cccc2c(nn(C)c12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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3.40n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311957
PNG
(US10166214, Example 93 | US9789082, Example 93)
Show SMILES Cc1cccc2c(n[nH]c12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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3.60n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311957
PNG
(US10166214, Example 93 | US9789082, Example 93)
Show SMILES Cc1cccc2c(n[nH]c12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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3.60n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50081058
PNG
(CHEMBL3421842 | US10166214, Example 22 | US9789082...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nc(C)cc2ccccc12 |r|
Show InChI InChI=1/C19H23N3O/c1-11-8-12-6-4-5-7-13(12)17(21-11)19(2,3)22-18(23)16-14-9-20-10-15(14)16/h4-8,14-16,20H,9-10H2,1-3H3,(H,22,23)/t14-,15+,16+
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3.70n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50081058
PNG
(CHEMBL3421842 | US10166214, Example 22 | US9789082...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nc(C)cc2ccccc12 |r|
Show InChI InChI=1/C19H23N3O/c1-11-8-12-6-4-5-7-13(12)17(21-11)19(2,3)22-18(23)16-14-9-20-10-15(14)16/h4-8,14-16,20H,9-10H2,1-3H3,(H,22,23)/t14-,15+,16+
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3.70n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50081055
PNG
(CHEMBL3421843 | US10166214, Example 49 | US9789082...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nn(C)c2ccccc12 |r|
Show InChI InChI=1/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14+
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4.5n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50081055
PNG
(CHEMBL3421843 | US10166214, Example 49 | US9789082...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nn(C)c2ccccc12 |r|
Show InChI InChI=1/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14+
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4.5n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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6.18n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50271443
PNG
(CHEMBL522293 | Tyr-Pro-Phe-Phe-OCH2OH)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 |r|
Show InChI InChI=1S/C32H38N4O5/c33-27(19-24-13-15-26(38)16-14-24)32(41)36-17-7-12-29(36)31(40)35-28(20-23-10-5-2-6-11-23)30(39)34-25(21-37)18-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,37-38H,7,12,17-21,33H2,(H,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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6.34n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311992
PNG
(US10166214, Example 128 | US9789082, Example 128)
Show SMILES Cc1cccn2c(nc(C3CC3)c12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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7.60n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311992
PNG
(US10166214, Example 128 | US9789082, Example 128)
Show SMILES Cc1cccn2c(nc(C3CC3)c12)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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7.60n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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8.23n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50292208
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N5O5/c33-26(17-23-11-13-25(38)14-12-23)32(42)37-16-15-24(20-37)30(40)36-28(19-22-9-5-2-6-10-22)31(41)35-27(29(34)39)18-21-7-3-1-4-8-21/h1-14,24,26-28,38H,15-20,33H2,(H2,34,39)(H,35,41)(H,36,40)/t24-,26+,27+,28+/m1/s1
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8.23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane


Bioorg Med Chem Lett 15: 2986-2989 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50163909
PNG
(CHEMBL361922 | Tyr-Pro-Phe-Phe-OCH3 | Tyr-Pro-Phe-...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C33H38N4O6/c1-43-33(42)28(21-23-11-6-3-7-12-23)36-30(39)27(20-22-9-4-2-5-10-22)35-31(40)29-13-8-18-37(29)32(41)26(34)19-24-14-16-25(38)17-15-24/h2-7,9-12,14-17,26-29,38H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,39)/t26-,27-,28-,29-/m0/s1
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9.07n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297345
PNG
((5S,8S,13R,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)p...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r,w:33.33|
Show InChI InChI=1S/C63H100N22O12/c1-3-36(2)50(59(96)83-46(22-13-31-75-63(71)72)60(97)85-32-14-23-48(85)58(95)78-41(51(66)88)17-9-10-28-64)84-56(93)45(21-12-30-74-62(69)70)81-55(92)44(20-11-29-73-61(67)68)80-54(91)43-19-8-7-18-42(79-52(89)40(65)33-38-24-26-39(86)27-25-38)53(90)76-35-49(87)77-47(57(94)82-43)34-37-15-5-4-6-16-37/h4-8,15-16,24-27,36,40-48,50,86H,3,9-14,17-23,28-35,64-65H2,1-2H3,(H2,66,88)(H,76,90)(H,77,87)(H,78,95)(H,79,89)(H,80,91)(H,81,92)(H,82,94)(H,83,96)(H,84,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,50-/m0/s1
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9.30n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50163913
PNG
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)
Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1
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9.35n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311885
PNG
(US10166214, Example 21 | US9789082, Example 21)
Show SMILES CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12 |r|
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10.8n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311885
PNG
(US10166214, Example 21 | US9789082, Example 21)
Show SMILES CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12 |r|
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10.8n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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10.9n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50271441
PNG
(CHEMBL505502 | Tyr-Pro-Phe-Phe-OCH2CH3)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H40N4O6/c1-2-44-34(43)29(22-24-12-7-4-8-13-24)37-31(40)28(21-23-10-5-3-6-11-23)36-32(41)30-14-9-19-38(30)33(42)27(35)20-25-15-17-26(39)18-16-25/h3-8,10-13,15-18,27-30,39H,2,9,14,19-22,35H2,1H3,(H,36,41)(H,37,40)/t27-,28-,29-,30-/m0/s1
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15.0n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311958
PNG
(US10166214, Example 94 | US9789082, Example 94)
Show SMILES CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)c1n[nH]c2ccccc12 |r|
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15.9n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311958
PNG
(US10166214, Example 94 | US9789082, Example 94)
Show SMILES CC(C)(NC(=O)[C@@H]1[C@H]2CNC[C@@H]12)c1n[nH]c2ccccc12 |r|
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15.9n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50271439
PNG
(CHEMBL453689 | Tyr-Pro-Phe-Phe-NHCH3)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C33H39N5O5/c1-35-30(40)27(20-22-9-4-2-5-10-22)36-31(41)28(21-23-11-6-3-7-12-23)37-32(42)29-13-8-18-38(29)33(43)26(34)19-24-14-16-25(39)17-15-24/h2-7,9-12,14-17,26-29,39H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,41)(H,37,42)/t26-,27-,28-,29-/m0/s1
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29.2n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM312012
PNG
(US10166214, Example 148 | US9789082, Example 148)
Show SMILES Cc1nc(c2cccc(C)c2n1)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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32.3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM312012
PNG
(US10166214, Example 148 | US9789082, Example 148)
Show SMILES Cc1nc(c2cccc(C)c2n1)C(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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32.3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297347
PNG
((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Show InChI InChI=1S/C59H92N22O12/c60-25-7-6-14-38(48(62)85)75-55(92)45-20-11-29-81(45)56(93)43(19-10-28-71-59(67)68)80-53(90)40-16-5-4-15-39(50(87)77-42(18-9-27-70-58(65)66)52(89)78-41(51(88)76-40)17-8-26-69-57(63)64)79-54(91)44(31-34-12-2-1-3-13-34)74-47(84)33-72-46(83)32-73-49(86)37(61)30-35-21-23-36(82)24-22-35/h1-5,12-13,21-24,37-45,82H,6-11,14-20,25-33,60-61H2,(H2,62,85)(H,72,83)(H,73,86)(H,74,84)(H,75,92)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,90)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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36n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 5619-25 (2009)


Article DOI: 10.1021/jm900577k
BindingDB Entry DOI: 10.7270/Q2QN66T6
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311904
PNG
(US10166214, Example 40 | US9789082, Example 40)
Show SMILES Cc1ccccc1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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37.1n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311904
PNG
(US10166214, Example 40 | US9789082, Example 40)
Show SMILES Cc1ccccc1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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37.1n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311911
PNG
(US10166214, Example 47 | US9789082, Example 47)
Show SMILES Cc1cccnc1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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39.9n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311911
PNG
(US10166214, Example 47 | US9789082, Example 47)
Show SMILES Cc1cccnc1OCC(C)(C)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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39.9n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50081060
PNG
(CHEMBL3421844 | US10166214, Example 101 | US978908...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1noc2c(F)cccc12 |r|
Show InChI InChI=1/C16H18FN3O2/c1-16(2,19-15(21)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)22-20-14/h3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,21)/t9-,10+,12+
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46.2n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50081060
PNG
(CHEMBL3421844 | US10166214, Example 101 | US978908...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1noc2c(F)cccc12 |r|
Show InChI InChI=1/C16H18FN3O2/c1-16(2,19-15(21)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)22-20-14/h3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,21)/t9-,10+,12+
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46.2n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50271442
PNG
(CHEMBL500195 | Tyr-Pro-Phe-Phe-OC(CH3)3)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C36H44N4O6/c1-36(2,3)46-35(45)30(23-25-13-8-5-9-14-25)39-32(42)29(22-24-11-6-4-7-12-24)38-33(43)31-15-10-20-40(31)34(44)28(37)21-26-16-18-27(41)19-17-26/h4-9,11-14,16-19,28-31,41H,10,15,20-23,37H2,1-3H3,(H,38,43)(H,39,42)/t28-,29-,30-,31-/m0/s1
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50.4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311927
PNG
(US10166214, Example 63 | US9789082, Example 63)
Show SMILES CC(C)(COc1cnccc1C(F)(F)F)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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68.9n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US9789082 (2017)


BindingDB Entry DOI: 10.7270/Q2CN760Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM311927
PNG
(US10166214, Example 63 | US9789082, Example 63)
Show SMILES CC(C)(COc1cnccc1C(F)(F)F)NC(=O)[C@@H]1[C@H]2CNC[C@@H]12 |r|
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68.9n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50081059
PNG
(CHEMBL3421845 | US10166214, Example 138 | US978908...)
Show SMILES [H][C@@]12CNC[C@]1([H])[C@H]2C(=O)NC(C)(C)c1nc(C)nc2ccccc12 |r|
Show InChI InChI=1/C18H22N4O/c1-10-20-14-7-5-4-6-11(14)16(21-10)18(2,3)22-17(23)15-12-8-19-9-13(12)15/h4-7,12-13,15,19H,8-9H2,1-3H3,(H,22,23)/t12-,13+,15+
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70.3n/an/an/an/an/an/an/an/a



Centrexion Therapeutics Corporation

US Patent




US Patent US10166214 (2019)


BindingDB Entry DOI: 10.7270/Q2D50Q16
More data for this
Ligand-Target Pair
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