Found 95 hits with Last Name = 'xiong' and Initial = 'xf' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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antibodypedia
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| Article
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(q) subunit alpha
(Homo sapiens) | BDBM50514449
(CHEMBL4171381)Show SMILES CCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1 | PDB
MMDB
NCI pathway
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UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Galphaq/11 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01977
BindingDB Entry DOI: 10.7270/Q2W099PS |
More data for this
Ligand-Target Pair | |
Guanine nucleotide binding protein, alpha q polypeptide
(Cricetulus griseus) | BDBM50514449
(CHEMBL4171381)Show SMILES CCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
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UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of Gq-mediated signalling in CHOK1 cells stably expressing M1 muscarinic receptor assessed as inhibition of carbachol-induced IP1 producti... |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603812
(CHEMBL475165)Show SMILES CCOc1cc(ccc1OC)C(CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O | PDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Guanine nucleotide binding protein, alpha q polypeptide
(Cricetulus griseus) | BDBM50468902
(CHEMBL4288881)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1 | PDB
MMDB
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UniChem
| Article
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| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of Gq-mediated signalling in CHOK1 cells stably expressing M1 muscarinic receptor assessed as inhibition of carbachol-induced IP1 producti... |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(q) subunit alpha/subunit alpha-11
(Homo sapiens) | BDBM50468902
(CHEMBL4288881)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-alphaq/11 in human platelet rich plasma assessed as inhibition of ADP-mediated platelet aggregation |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(q) subunit alpha
(Homo sapiens) | BDBM50468902
(CHEMBL4288881)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1 | PDB
MMDB
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UniChem
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-alphaq/11 in human platelet rich plasma assessed as inhibition of ADP-mediated calcium ion mobilization |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(q) subunit alpha
(Homo sapiens) | BDBM50468902
(CHEMBL4288881)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1 | PDB
MMDB
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Galphaq/11 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01977
BindingDB Entry DOI: 10.7270/Q2W099PS |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50459706
(CHEMBL4214264)Show SMILES Oc1cccc(F)c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)C=C |(15.91,-23.99,;14.37,-23.99,;13.61,-22.65,;12.06,-22.66,;11.29,-23.99,;12.07,-25.31,;11.29,-26.64,;13.61,-25.32,;14.37,-26.64,;15.91,-26.64,;16.68,-25.31,;16.68,-27.97,;15.91,-29.32,;16.67,-30.65,;15.91,-31.97,;14.36,-31.97,;13.6,-30.64,;14.37,-29.31,;13.6,-27.98,;12.05,-27.98,;18.21,-30.64,;18.98,-31.98,;20.51,-31.99,;21.3,-30.65,;20.52,-29.31,;18.98,-29.3,;22.84,-30.66,;23.61,-29.32,;23.6,-32,;25.15,-32,)| Show InChI InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2 | PDB
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| | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
(Homo sapiens) | BDBM114291
(8-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)-1-naphtho...)Show SMILES OC(=O)c1cccc2cccc(-c3c4ccc(O)c(O)c4oc4c(O)c(=O)ccc34)c12 |(4.7,1.65,;6.16,1.41,;6.69,.02,;7.1,2.55,;6.56,3.99,;7.55,5.17,;9.07,4.89,;9.57,3.44,;11.03,3.18,;11.53,1.79,;10.58,.66,;9.13,.92,;8.18,-.22,;9.46,-.96,;10.78,-.17,;12.12,-.93,;12.12,-2.47,;13.4,-3.21,;10.78,-3.23,;10.76,-4.7,;9.46,-2.44,;8.18,-3.17,;6.9,-2.44,;5.57,-3.23,;5.59,-4.7,;4.23,-2.47,;2.96,-3.21,;4.23,-.93,;5.57,-.17,;6.9,-.96,;8.62,2.3,)| Show InChI InChI=1S/C24H14O7/c25-16-9-7-13-19(12-5-1-3-11-4-2-6-15(18(11)12)24(29)30)14-8-10-17(26)21(28)23(14)31-22(13)20(16)27/h1-10,25,27-28H,(H,29,30) | PDB
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| PC cid
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468902
(CHEMBL4288881)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1 | PDB
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| Article
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468902
(CHEMBL4288881)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603817
(CHEMBL5170835)Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2ccc(=O)oc2c1\[#6]=[#6]\[C@@]1([#6])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c(-[#8]1)c1ccccc1n(-[#6])c2=O |r| | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
(Homo sapiens) | BDBM50246208
(2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...)Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26) | PDB
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Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
(Homo sapiens) | BDBM50514448
(CHEMBL4469620)Show SMILES Oc1ccc2c(Oc3c(O)c(O)ccc3C22OC(=O)c3ccccc23)c1O Show InChI InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H | PDB
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Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
(Homo sapiens) | BDBM50514450
(CHEMBL4443974)Show SMILES OC(=O)C1CC23C(Cl)C(Cl)=C(Cl)C(Cl)C2(CC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12)C3(Cl)Cl |t:9| Show InChI InChI=1S/C25H16Cl6O7/c26-14-15(27)21(29)24-6-10(22(36)37)9(5-23(24,20(14)28)25(24,30)31)13-7-1-3-11(32)16(34)18(7)38-19-8(13)2-4-12(33)17(19)35/h1-4,9-10,20-21,32,34-35H,5-6H2,(H,36,37) | PDB
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Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468904
(CHEMBL4173778)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC1=O)C(C)C)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C48H73N7O15/c1-23(2)38(58)34(50-30(11)56)46(64)69-39(24(3)4)35-45(63)55(15)37(29(10)67-16)48(66)70-40(25(5)6)36(51-31(12)57)47(65)68-33(22-32-20-18-17-19-21-32)44(62)54(14)27(8)41(59)49-26(7)43(61)53(13)28(9)42(60)52-35/h17-21,23-26,28-29,33-40,58H,8,22H2,1-7,9-16H3,(H,49,59)(H,50,56)(H,51,57)(H,52,60)/t26-,28-,29+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1 | PDB
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| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468904
(CHEMBL4173778)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC1=O)C(C)C)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C48H73N7O15/c1-23(2)38(58)34(50-30(11)56)46(64)69-39(24(3)4)35-45(63)55(15)37(29(10)67-16)48(66)70-40(25(5)6)36(51-31(12)57)47(65)68-33(22-32-20-18-17-19-21-32)44(62)54(14)27(8)41(59)49-26(7)43(61)53(13)28(9)42(60)52-35/h17-21,23-26,28-29,33-40,58H,8,22H2,1-7,9-16H3,(H,49,59)(H,50,56)(H,51,57)(H,52,60)/t26-,28-,29+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1 | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603818
(CHEMBL5208713)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ncccc21 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50277665
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468898
(CHEMBL4278309)Show SMILES CCCCCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O |r| Show InChI InChI=1S/C50H77N7O15/c1-16-17-19-24-36(59)53-38(41(60)26(2)3)49(67)72-42(27(4)5)39-47(65)57(14)40(32(10)69-15)50(68)70-31(9)37(52-33(11)58)48(66)71-35(25-34-22-20-18-21-23-34)46(64)56(13)29(7)43(61)51-28(6)45(63)55(12)30(8)44(62)54-39/h18,20-23,26-28,30-32,35,37-42,60H,7,16-17,19,24-25H2,1-6,8-15H3,(H,51,61)(H,52,58)(H,53,59)(H,54,62)/t28-,30-,31+,32+,35+,37-,38-,39-,40-,41+,42+/m0/s1 | PDB
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| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468898
(CHEMBL4278309)Show SMILES CCCCCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O |r| Show InChI InChI=1S/C50H77N7O15/c1-16-17-19-24-36(59)53-38(41(60)26(2)3)49(67)72-42(27(4)5)39-47(65)57(14)40(32(10)69-15)50(68)70-31(9)37(52-33(11)58)48(66)71-35(25-34-22-20-18-21-23-34)46(64)56(13)29(7)43(61)51-28(6)45(63)55(12)30(8)44(62)54-39/h18,20-23,26-28,30-32,35,37-42,60H,7,16-17,19,24-25H2,1-6,8-15H3,(H,51,61)(H,52,58)(H,53,59)(H,54,62)/t28-,30-,31+,32+,35+,37-,38-,39-,40-,41+,42+/m0/s1 | PDB
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| n/a | n/a | 891 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50503649
(CHEMBL4476113)Show SMILES CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl Show InChI InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3 | PDB
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| PDB
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603822
(CHEMBL5185722)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ncncc21 | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468900
(CHEMBL4282827)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](COC1=O)NC(C)=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C45H67N7O15/c1-22(2)36(55)33(48-29(10)54)44(62)67-37(23(3)4)34-42(60)52(13)35(27(8)64-14)45(63)65-21-31(47-28(9)53)43(61)66-32(20-30-18-16-15-17-19-30)41(59)51(12)25(6)38(56)46-24(5)40(58)50(11)26(7)39(57)49-34/h15-19,22-24,26-27,31-37,55H,6,20-21H2,1-5,7-14H3,(H,46,56)(H,47,53)(H,48,54)(H,49,57)/t24-,26-,27+,31-,32+,33-,34-,35-,36+,37+/m0/s1 | PDB
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| n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468900
(CHEMBL4282827)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](COC1=O)NC(C)=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C45H67N7O15/c1-22(2)36(55)33(48-29(10)54)44(62)67-37(23(3)4)34-42(60)52(13)35(27(8)64-14)45(63)65-21-31(47-28(9)53)43(61)66-32(20-30-18-16-15-17-19-30)41(59)51(12)25(6)38(56)46-24(5)40(58)50(11)26(7)39(57)49-34/h15-19,22-24,26-27,31-37,55H,6,20-21H2,1-5,7-14H3,(H,46,56)(H,47,53)(H,48,54)(H,49,57)/t24-,26-,27+,31-,32+,33-,34-,35-,36+,37+/m0/s1 | PDB
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| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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| n/a | n/a | 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468901
(CHEMBL4294526)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C51H71N7O15/c1-26(2)41(60)38(54-45(63)35-23-19-16-20-24-35)50(68)73-42(27(3)4)39-48(66)58(13)40(32(9)70-14)51(69)71-31(8)37(53-33(10)59)49(67)72-36(25-34-21-17-15-18-22-34)47(65)57(12)29(6)43(61)52-28(5)46(64)56(11)30(7)44(62)55-39/h15-24,26-28,30-32,36-42,60H,6,25H2,1-5,7-14H3,(H,52,61)(H,53,59)(H,54,63)(H,55,62)/t28-,30-,31+,32+,36+,37-,38-,39-,40-,41+,42+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468901
(CHEMBL4294526)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C51H71N7O15/c1-26(2)41(60)38(54-45(63)35-23-19-16-20-24-35)50(68)73-42(27(3)4)39-48(66)58(13)40(32(9)70-14)51(69)71-31(8)37(53-33(10)59)49(67)72-36(25-34-21-17-15-18-22-34)47(65)57(12)29(6)43(61)52-28(5)46(64)56(11)30(7)44(62)55-39/h15-24,26-28,30-32,36-42,60H,6,25H2,1-5,7-14H3,(H,52,61)(H,53,59)(H,54,63)(H,55,62)/t28-,30-,31+,32+,36+,37-,38-,39-,40-,41+,42+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603832
(CHEMBL5197754)Show SMILES [#6]-[#6]-c1ccc2c3-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c3c(=O)n(-[#6]-[#6])c2n1 |r| | PDB
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UniChem
| Article
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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| PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468899
(CHEMBL4286619)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C43H71N7O15/c1-19(2)18-29-39(57)49(15)23(8)36(54)44-22(7)38(56)48(14)24(9)37(55)47-32(35(21(5)6)65-42(60)31(46-28(13)52)34(53)20(3)4)40(58)50(16)33(26(11)62-17)43(61)63-25(10)30(41(59)64-29)45-27(12)51/h19-22,24-26,29-35,53H,8,18H2,1-7,9-17H3,(H,44,54)(H,45,51)(H,46,52)(H,47,55)/t22-,24-,25+,26+,29+,30-,31-,32-,33-,34+,35+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein subunit alpha-11
(Homo sapiens) | BDBM50468899
(CHEMBL4286619)Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r| Show InChI InChI=1S/C43H71N7O15/c1-19(2)18-29-39(57)49(15)23(8)36(54)44-22(7)38(56)48(14)24(9)37(55)47-32(35(21(5)6)65-42(60)31(46-28(13)52)34(53)20(3)4)40(58)50(16)33(26(11)62-17)43(61)63-25(10)30(41(59)64-29)45-27(12)51/h19-22,24-26,29-35,53H,8,18H2,1-7,9-17H3,(H,44,54)(H,45,51)(H,46,52)(H,47,55)/t22-,24-,25+,26+,29+,30-,31-,32-,33-,34+,35+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ... |
Eur J Med Chem 156: 847-860 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
MMDB
Reactome pathway
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UniChem
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| n/a | n/a | 4.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603829
(CHEMBL5205696)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c2c1=O | PDB
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| PDB
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| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2/G(I)/G(S)/G(T) subunit beta-1
(Homo sapiens) | BDBM50444748
(Aminoquinuride)Show SMILES Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 Show InChI InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28) | PDB
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| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
(Homo sapiens) | BDBM97335
(7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo...)Show InChI InChI=1S/C20H23NO5/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3 | PDB
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| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description
Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry |
J Med Chem 63: 5013-5030 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01452
BindingDB Entry DOI: 10.7270/Q28S4T82 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603813
(CHEMBL5201432)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#8]-c2c1c(=O)n(-[#6])c1ccccc21)[#6]=[#6] | PDB
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UniChem
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| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603831
(CHEMBL5171883)Show SMILES [#6]-[#6]-c1ccc2c3-[#8]C([#6])([#6]-[#6]-[#8])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-c3c(=O)n(-[#6]-[#6])c2n1 | PDB
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| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603835
(CHEMBL5204540)Show SMILES [#6]-[#6]-n1c2nc(ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O)C(F)(F)F |r| | PDB
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| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603814
(CHEMBL5202332)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ccccc21 | PDB
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| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603820
(CHEMBL5178435)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1ccncc21 | PDB
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| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50603821
(CHEMBL5193480)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#6]C([#6])([#6]-[#6]-[#8])[#8]-c2c1c(=O)n(-[#6])c1cccnc21 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM93217
(Coumarin derivative, 2a)Show InChI InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50603811
(CHEMBL5171560)Show SMILES [#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02058
BindingDB Entry DOI: 10.7270/Q2DF6W9W |
More data for this
Ligand-Target Pair | |
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