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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'boularan' and Initial = 'c'   
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
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002726
PNG
(CHEMBL2371933)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C51H64N10O11S2/c1-28(2)43(51(71)72)61-50(70)41-27-74-73-26-40(59-45(65)36-19-20-42(63)54-36)49(69)57-37(22-29-10-4-3-5-11-29)46(66)58-39(24-31-25-53-34-13-7-6-12-33(31)34)48(68)55-35(14-8-9-21-52)44(64)56-38(47(67)60-41)23-30-15-17-32(62)18-16-30/h3-7,10-13,15-18,25,28,35-41,43,53,62H,8-9,14,19-24,26-27,52H2,1-2H3,(H,54,63)(H,55,68)(H,56,64)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)/t35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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 0.910n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002718
PNG
(CHEMBL385281)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C52H64N10O11S3/c1-28(2)44(52(72)73)62-51(71)41-27-76-75-26-40(60-45(65)34(54)23-43(63)64)50(70)59-39(22-31-25-74-42-18-9-7-15-33(31)42)49(69)58-38(21-30-24-55-35-16-8-6-14-32(30)35)48(68)56-36(17-10-11-19-53)46(66)57-37(47(67)61-41)20-29-12-4-3-5-13-29/h3-9,12-16,18,24-25,28,34,36-41,44,55H,10-11,17,19-23,26-27,53-54H2,1-2H3,(H,56,68)(H,57,66)(H,58,69)(H,59,70)(H,60,65)(H,61,67)(H,62,71)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,44-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50320463
PNG
(CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002725
PNG
(CHEMBL374468)
Show SMILES CN[C@@H](CC(O)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)61-50(71)41-27-75-74-26-40(59-45(66)36(53-3)24-42(63)64)49(70)57-37(21-29-11-5-4-6-12-29)46(67)58-39(23-31-25-54-34-14-8-7-13-33(31)34)48(69)55-35(15-9-10-20-52)44(65)56-38(47(68)60-41)22-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,35-41,43,53-54,62H,9-10,15,20-24,26-27,52H2,1-3H3,(H,55,69)(H,56,65)(H,57,70)(H,58,67)(H,59,66)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002728
PNG
(CHEMBL218825)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)41(48(68)69)60-47(67)39-26-71-72-27-40(59-49(70)50(3,4)52)46(66)56-36(22-29-12-6-5-7-13-29)43(63)57-38(24-31-25-53-34-15-9-8-14-33(31)34)45(65)54-35(16-10-11-21-51)42(62)55-37(44(64)58-39)23-30-17-19-32(61)20-18-30/h5-9,12-15,17-20,25,28,35-41,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,65)(H,55,62)(H,56,66)(H,57,63)(H,58,64)(H,59,70)(H,60,67)(H,68,69)/t35-,36-,37-,38-,39-,40-,41-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002723
PNG
(CHEMBL265166)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H63N11O14S2/c1-26(2)42(50(72)73)60-49(71)38-25-77-76-24-37(58-43(65)31(52)22-41(63)64)48(70)56-34(18-27-10-4-3-5-11-27)45(67)57-36(21-29-23-53-32-13-7-6-12-30(29)32)47(69)54-33(14-8-9-17-51)44(66)55-35(46(68)59-38)19-28-15-16-40(62)39(20-28)61(74)75/h3-7,10-13,15-16,20,23,26,31,33-38,42,53,62H,8-9,14,17-19,21-22,24-25,51-52H2,1-2H3,(H,54,69)(H,55,66)(H,56,70)(H,57,67)(H,58,65)(H,59,68)(H,60,71)(H,63,64)(H,72,73)/t31-,33-,34-,35-,36-,37-,38-,42-/m0/s1
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 2.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002717
PNG
(CHEMBL216712)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C48H62N10O11S3/c1-26(2)40(48(68)69)58-47(67)38-25-72-71-24-37(56-41(61)31(50)22-39(59)60)46(66)55-36(21-29-13-10-18-70-29)45(65)54-35(20-28-23-51-32-15-7-6-14-30(28)32)44(64)52-33(16-8-9-17-49)42(62)53-34(43(63)57-38)19-27-11-4-3-5-12-27/h3-7,10-15,18,23,26,31,33-38,40,51H,8-9,16-17,19-22,24-25,49-50H2,1-2H3,(H,52,64)(H,53,62)(H,54,65)(H,55,66)(H,56,61)(H,57,63)(H,58,67)(H,59,60)(H,68,69)/t31-,33-,34-,35-,36-,37-,38-,40-/m0/s1
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 2.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002727
PNG
(CHEMBL266651)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)61-50(71)41-27-75-74-26-40(59-44(65)34(53)19-20-42(63)64)49(70)57-37(22-29-10-4-3-5-11-29)46(67)58-39(24-31-25-54-35-13-7-6-12-33(31)35)48(69)55-36(14-8-9-21-52)45(66)56-38(47(68)60-41)23-30-15-17-32(62)18-16-30/h3-7,10-13,15-18,25,28,34,36-41,43,54,62H,8-9,14,19-24,26-27,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002716
PNG
(CHEMBL383996)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)C(C)(C)C)C(=O)N1)C(O)=O
Show InChI InChI=1S/C54H72N10O11S2/c1-30(2)45(53(74)75)64-52(73)43-29-77-76-28-42(62-46(67)36(56)26-44(65)66)51(72)60-39(23-31-13-7-6-8-14-31)48(69)61-41(25-33-27-57-37-16-10-9-15-35(33)37)50(71)58-38(17-11-12-22-55)47(68)59-40(49(70)63-43)24-32-18-20-34(21-19-32)54(3,4)5/h6-10,13-16,18-21,27,30,36,38-43,45,57H,11-12,17,22-26,28-29,55-56H2,1-5H3,(H,58,71)(H,59,68)(H,60,72)(H,61,69)(H,62,67)(H,63,70)(H,64,73)(H,65,66)(H,74,75)/t36-,38-,39-,40-,41-,42-,43-,45-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002719
PNG
(CHEMBL412179)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H65N11O11S2/c1-27(2)42(50(71)72)61-49(70)40-26-74-73-25-39(59-43(64)33(53)23-41(62)63)48(69)57-36(20-28-10-4-3-5-11-28)45(66)58-38(22-30-24-54-34-13-7-6-12-32(30)34)47(68)55-35(14-8-9-19-51)44(65)56-37(46(67)60-40)21-29-15-17-31(52)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,54H,8-9,14,19-23,25-26,51-53H2,1-2H3,(H,55,68)(H,56,65)(H,57,69)(H,58,66)(H,59,64)(H,60,67)(H,61,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002715
PNG
(CHEMBL376223)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H69IN10O12S2/c1-26(2)42(50(72)73)61-49(71)39-25-75-74-24-38(59-43(65)32(53)22-41(63)64)48(70)57-35(19-27-10-4-3-5-11-27)45(67)58-37(21-29-23-54-33-13-7-6-12-30(29)33)47(69)55-34(14-8-9-17-52)44(66)56-36(46(68)60-39)20-28-15-16-40(62)31(51)18-28/h6-7,12-13,15-16,18,23,26-27,32,34-39,42,54,62H,3-5,8-11,14,17,19-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t32-,34-,35-,36-,37-,38-,39-,42-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002720
PNG
(CHEMBL219356)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(cc2)C(C)(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C54H72N10O11S2/c1-30(2)45(53(74)75)64-52(73)43-29-77-76-28-42(62-46(67)36(56)26-44(65)66)51(72)60-40(24-32-18-20-34(21-19-32)54(3,4)5)48(69)61-41(25-33-27-57-37-16-10-9-15-35(33)37)50(71)58-38(17-11-12-22-55)47(68)59-39(49(70)63-43)23-31-13-7-6-8-14-31/h6-10,13-16,18-21,27,30,36,38-43,45,57H,11-12,17,22-26,28-29,55-56H2,1-5H3,(H,58,71)(H,59,68)(H,60,72)(H,61,69)(H,62,67)(H,63,70)(H,64,73)(H,65,66)(H,74,75)/t36-,38-,39-,40-,41-,42-,43-,45-/m0/s1
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 23n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002724
PNG
(CHEMBL428990)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)C(O)=O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C51H64N10O13S2/c1-27(2)42(51(73)74)61-49(70)40-26-76-75-25-39(59-43(64)33(53)23-41(62)63)48(69)57-36(20-28-10-4-3-5-11-28)45(66)58-38(22-31-24-54-34-13-7-6-12-32(31)34)47(68)55-35(14-8-9-19-52)44(65)56-37(46(67)60-40)21-29-15-17-30(18-16-29)50(71)72/h3-7,10-13,15-18,24,27,33,35-40,42,54H,8-9,14,19-23,25-26,52-53H2,1-2H3,(H,55,68)(H,56,65)(H,57,69)(H,58,66)(H,59,64)(H,60,67)(H,61,70)(H,62,63)(H,71,72)(H,73,74)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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 74n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002722
PNG
(CHEMBL415851)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C47H66N10O12S2/c1-24(2)17-33-42(63)54-35(19-27-21-50-31-10-6-5-9-29(27)31)44(65)51-32(11-7-8-16-48)41(62)53-34(18-26-12-14-28(58)15-13-26)43(64)56-37(46(67)57-39(25(3)4)47(68)69)23-71-70-22-36(45(66)52-33)55-40(61)30(49)20-38(59)60/h5-6,9-10,12-15,21,24-25,30,32-37,39,50,58H,7-8,11,16-20,22-23,48-49H2,1-4H3,(H,51,65)(H,52,66)(H,53,62)(H,54,63)(H,55,61)(H,56,64)(H,57,67)(H,59,60)(H,68,69)/t30-,32-,33-,34-,35-,36-,37-,39-/m0/s1
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 132n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002713
PNG
(CHEMBL425467)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C52H74N10O12S2/c1-28(2)42(51(73)74)61-49(71)40-27-75-76-52(3,4)43(62-44(66)34(54)25-41(64)65)50(72)59-38(22-29-12-6-5-7-13-29)46(68)58-39(24-31-26-55-35-15-9-8-14-33(31)35)48(70)56-36(16-10-11-21-53)45(67)57-37(47(69)60-40)23-30-17-19-32(63)20-18-30/h8-9,14-15,17-20,26,28-29,34,36-40,42-43,55,63H,5-7,10-13,16,21-25,27,53-54H2,1-4H3,(H,56,70)(H,57,67)(H,58,68)(H,59,72)(H,60,69)(H,61,71)(H,62,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43+/m0/s1
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 155n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002698
PNG
(CHEMBL437110)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H70N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h7-8,13-14,16-19,24,27-29,35-41,52,60H,4-6,9-12,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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 263n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50411186
PNG
(CHEMBL218698)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H70N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h6-7,12-13,15-18,24,27-28,33,35-40,42,53,61H,3-5,8-11,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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 407n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002721
PNG
(CHEMBL415850)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)N2C3CCCCC3CC2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H68N10O10S2/c1-27(2)42(49(68)69)58-47(66)37-25-70-71-26-40(57-43(62)32(51)23-41(60)61)59-38-18-9-6-14-29(38)22-39(59)48(67)55-36(21-30-24-52-33-16-8-7-15-31(30)33)46(65)53-34(17-10-11-19-50)44(63)54-35(45(64)56-37)20-28-12-4-3-5-13-28/h3-5,7-8,12-13,15-16,24,27,29,32,34-40,42,52H,6,9-11,14,17-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,63)(H,55,67)(H,56,64)(H,57,62)(H,58,66)(H,60,61)(H,68,69)/t29?,32-,34-,35-,36-,37-,38?,39?,40+,42-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50002714
PNG
(CHEMBL216716)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H70N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h6-7,12-13,15-18,24,27-28,33,35-40,42,53,61H,3-5,8-11,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36+,37-,38-,39-,40-,42-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells

J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50506263
PNG
(CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP)
Show SMILES [H][C@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/an/an/a 1.88E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50511078
PNG
(AS-1404 | ASA-404 | ASA404 | CHEBI:75934 | DMXAA |...)
Show SMILES Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C
Show InChI InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)
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n/an/an/an/a 3.52E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558664
PNG
(CHEMBL4752156)
Show SMILES [H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])C[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 2.20E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558665
PNG
(CHEMBL4776666)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 8.40E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558666
PNG
(CHEMBL4797172)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.59E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50509411
PNG
(CHEMBL4552089)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C20H23N9O13P2/c21-15-9-16(23-3-22-15)28(5-26-9)19-12(31)13-8(40-19)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-20(14)29-6-27-10-17(29)24-4-25-18(10)32/h3-8,11-14,19-20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,21,22,23)(H,24,25,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/an/an/a 6.10E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558667
PNG
(CHEMBL4761077)
Show SMILES [H][C@@]12COP(O)(=O)O[C@]3([H])[C@H](O)[C@@]([H])(COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12)O[C@H]3n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.74E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558668
PNG
(CHEMBL4762242)
Show SMILES [H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 4.00E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558669
PNG
(CHEMBL4783642)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])C[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])C[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.16E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558670
PNG
(CHEMBL4797965)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 5.10E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558671
PNG
(CHEMBL4751982)
Show SMILES [H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558672
PNG
(CHEMBL4753213)
Show SMILES [H][C@]12C[C@@H](O[C@]1([H])COP(O)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O[C@]1([H])COP(O)(=O)O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 9.10E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Mus musculus)		BDBM50558673
PNG
(CHEMBL4800420)
Show SMILES [H][C@]12C[C@@H](O[C@]1([H])COP(O)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O[C@]1([H])COP(O)(=O)O2)n1cnc2c(O)ncnc12)n1cnc2c(N)ncnc12 |r|
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n/an/an/an/a 5.00E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50506263
PNG
(CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP)
Show SMILES [H][C@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/an/an/a 7.20E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558664
PNG
(CHEMBL4752156)
Show SMILES [H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])C[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.90E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558673
PNG
(CHEMBL4800420)
Show SMILES [H][C@]12C[C@@H](O[C@]1([H])COP(O)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O[C@]1([H])COP(O)(=O)O2)n1cnc2c(O)ncnc12)n1cnc2c(N)ncnc12 |r|
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n/an/an/an/a 2.30E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558672
PNG
(CHEMBL4753213)
Show SMILES [H][C@]12C[C@@H](O[C@]1([H])COP(O)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O[C@]1([H])COP(O)(=O)O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.40E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558671
PNG
(CHEMBL4751982)
Show SMILES [H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558670
PNG
(CHEMBL4797965)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558669
PNG
(CHEMBL4783642)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])C[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])C[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.00E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558668
PNG
(CHEMBL4762242)
Show SMILES [H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.60E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558667
PNG
(CHEMBL4761077)
Show SMILES [H][C@@]12COP(O)(=O)O[C@]3([H])[C@H](O)[C@@]([H])(COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12)O[C@H]3n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.79E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509411
PNG
(CHEMBL4552089)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C20H23N9O13P2/c21-15-9-16(23-3-22-15)28(5-26-9)19-12(31)13-8(40-19)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-20(14)29-6-27-10-17(29)24-4-25-18(10)32/h3-8,11-14,19-20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,21,22,23)(H,24,25,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/an/an/a 1.25E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558666
PNG
(CHEMBL4797172)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.51E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558665
PNG
(CHEMBL4776666)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 5.10E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by lu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558665
PNG
(CHEMBL4776666)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.59E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558666
PNG
(CHEMBL4797172)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 6.06E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509411
PNG
(CHEMBL4552089)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C20H23N9O13P2/c21-15-9-16(23-3-22-15)28(5-26-9)19-12(31)13-8(40-19)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-20(14)29-6-27-10-17(29)24-4-25-18(10)32/h3-8,11-14,19-20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,21,22,23)(H,24,25,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/an/an/a 5.43E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558667
PNG
(CHEMBL4761077)
Show SMILES [H][C@@]12COP(O)(=O)O[C@]3([H])[C@H](O)[C@@]([H])(COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12)O[C@H]3n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 1.11E+5n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558668
PNG
(CHEMBL4762242)
Show SMILES [H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
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n/an/an/an/a 7.80E+3n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50558669
PNG
(CHEMBL4783642)
Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])C[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])C[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 6.23E+4n/an/an/an/a


TBA

Assay Description
Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2708537
More data for this
Ligand-Target Pair
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