Found 2480 hits with Last Name = 'qin' and Initial = 'l' 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 |
|---|
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50537515
(CHEMBL4644088)Show SMILES FC(F)(F)c1ccc(cc1)C#Cc1ccc(s1)-c1c(CNS(=O)(=O)N2CCCC2)c(cn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C34H32Cl2F3N5O3S2/c35-25-11-14-30(29(36)20-25)44-22-28(33(45)41-42-16-2-1-3-17-42)27(21-40-49(46,47)43-18-4-5-19-43)32(44)31-15-13-26(48-31)12-8-23-6-9-24(10-7-23)34(37,38)39/h6-7,9-11,13-15,20,22,40H,1-5,16-19,21H2,(H,41,45) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C alpha expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50274428
(CHEMBL4127538)Show SMILES COC1COCCC1NC1CCN(CC1)C(=O)c1ncnc(Nc2ccc(Cl)c(Cl)c2)c1C Show InChI InChI=1S/C23H29Cl2N5O3/c1-14-21(26-13-27-22(14)29-16-3-4-17(24)18(25)11-16)23(31)30-8-5-15(6-9-30)28-19-7-10-33-12-20(19)32-2/h3-4,11,13,15,19-20,28H,5-10,12H2,1-2H3,(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR2 |
Bioorg Med Chem 26: 3559-3572 (2018)
Article DOI: 10.1016/j.bmc.2018.05.027
BindingDB Entry DOI: 10.7270/Q2H41TZH |
More data for this
Ligand-Target Pair | |
Monocarboxylate transporter 1
(Rattus norvegicus (Rat)) | BDBM50606662
(CHEMBL5221129)Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@@H](O)CO3)c2c(=O)n(C)c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113806
BindingDB Entry DOI: 10.7270/Q2M61QBT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248433
(2-(cyclopropylamino)-7-(2,6-difluorobenzyl)-9-(3-m...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C22H19F2N5O2/c1-31-15-5-2-4-14(10-15)29-20-19(11-25-21(27-20)26-13-8-9-13)28(22(29)30)12-16-17(23)6-3-7-18(16)24/h2-7,10-11,13H,8-9,12H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50537520
(CHEMBL4649783)Show SMILES CC(=O)N1CCc2ccc(NS(=O)(=O)c3c(Cl)nc4SCCn34)cc12 Show InChI InChI=1S/C15H15ClN4O3S2/c1-9(21)19-5-4-10-2-3-11(8-12(10)19)18-25(22,23)14-13(16)17-15-20(14)6-7-24-15/h2-3,8,18H,4-7H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C alpha expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248434
(2-(cyclopropylamino)-7-(2-fluoro-6-methoxybenzyl)-...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O Show InChI InChI=1S/C23H22FN5O3/c1-31-16-6-3-5-15(11-16)29-21-19(12-25-22(27-21)26-14-9-10-14)28(23(29)30)13-17-18(24)7-4-8-20(17)32-2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50537518
(CHEMBL4635924)Show InChI InChI=1S/C5H4Cl2N2O2S2/c6-3-4(13(7,10)11)9-1-2-12-5(9)8-3/h1-2H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C alpha expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50247934
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-(t...)Show SMILES COc1cccc(c1)-n1c2nc(NCCc3cccs3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C25H21F2N5O2S/c1-34-17-6-2-5-16(13-17)32-23-22(14-29-24(30-23)28-11-10-18-7-4-12-35-18)31(25(32)33)15-19-20(26)8-3-9-21(19)27/h2-9,12-14H,10-11,15H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254456
(CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248575
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...)Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C25H20F2N6O2/c1-35-18-8-4-7-17(12-18)33-23-22(14-30-24(31-23)29-13-16-6-2-3-11-28-16)32(25(33)34)15-19-20(26)9-5-10-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50274429
(CHEMBL4126162)Show SMILES CN(C1CCN(CC1)C1CCN(CC1)C(=O)c1ncnc(N2CCc3ccc(cc3C2)C(F)(F)F)c1C)S(C)(=O)=O Show InChI InChI=1S/C28H37F3N6O3S/c1-19-25(32-18-33-26(19)37-11-6-20-4-5-22(28(29,30)31)16-21(20)17-37)27(38)36-14-9-24(10-15-36)35-12-7-23(8-13-35)34(2)41(3,39)40/h4-5,16,18,23-24H,6-15,17H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR2 |
Bioorg Med Chem 26: 3559-3572 (2018)
Article DOI: 10.1016/j.bmc.2018.05.027
BindingDB Entry DOI: 10.7270/Q2H41TZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50537519
(CHEMBL4638578)Show InChI InChI=1S/C13H11ClN4O2S2/c14-11-12(18-5-6-21-13(18)16-11)22(19,20)17-9-1-2-10-8(7-9)3-4-15-10/h1-4,7,15,17H,5-6H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C alpha expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254457
(CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...)Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50537515
(CHEMBL4644088)Show SMILES FC(F)(F)c1ccc(cc1)C#Cc1ccc(s1)-c1c(CNS(=O)(=O)N2CCCC2)c(cn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C34H32Cl2F3N5O3S2/c35-25-11-14-30(29(36)20-25)44-22-28(33(45)41-42-16-2-1-3-17-42)27(21-40-49(46,47)43-18-4-5-19-43)32(44)31-15-13-26(48-31)12-8-23-6-9-24(10-7-23)34(37,38)39/h6-7,9-11,13-15,20,22,40H,1-5,16-19,21H2,(H,41,45) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C eta expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248478
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(meth...)Show SMILES CNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 Show InChI InChI=1S/C20H17F2N5O2/c1-23-19-24-10-17-18(25-19)27(12-5-3-6-13(9-12)29-2)20(28)26(17)11-14-15(21)7-4-8-16(14)22/h3-10H,11H2,1-2H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50274430
(CHEMBL4127496)Show SMILES CCS(=O)(=O)N(C)C1CCN(CC1)C1CCN(CC1)C(=O)c1ncnc(NCc2ccc(Cl)c(Cl)c2)c1C Show InChI InChI=1S/C26H36Cl2N6O3S/c1-4-38(36,37)32(3)20-7-11-33(12-8-20)21-9-13-34(14-10-21)26(35)24-18(2)25(31-17-30-24)29-16-19-5-6-22(27)23(28)15-19/h5-6,15,17,20-21H,4,7-14,16H2,1-3H3,(H,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR2 |
Bioorg Med Chem 26: 3559-3572 (2018)
Article DOI: 10.1016/j.bmc.2018.05.027
BindingDB Entry DOI: 10.7270/Q2H41TZH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248262
(2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-meth...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O Show InChI InChI=1S/C23H23N5O3/c1-30-18-8-5-7-17(12-18)28-21-19(13-24-22(26-21)25-16-10-11-16)27(23(28)29)14-15-6-3-4-9-20(15)31-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248479
(7-(2,6-difluorobenzyl)-2-(ethylamino)-9-(3-methoxy...)Show SMILES CCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 Show InChI InChI=1S/C21H19F2N5O2/c1-3-24-20-25-11-18-19(26-20)28(13-6-4-7-14(10-13)30-2)21(29)27(18)12-15-16(22)8-5-9-17(15)23/h4-11H,3,12H2,1-2H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248380
(2-(cyclopropylamino)-7-(2-fluorobenzyl)-9-(3-metho...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2F)c1=O Show InChI InChI=1S/C22H20FN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254458
(CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254456
(CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248576
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...)Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C25H20F2N6O2/c1-35-18-5-2-4-17(12-18)33-23-22(14-30-24(31-23)29-13-16-8-10-28-11-9-16)32(25(33)34)15-19-20(26)6-3-7-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248379
(7-benzyl-2-(cyclopropylamino)-9-(3-methoxyphenyl)-...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C22H21N5O2/c1-29-18-9-5-8-17(12-18)27-20-19(13-23-21(25-20)24-16-10-11-16)26(22(27)28)14-15-6-3-2-4-7-15/h2-9,12-13,16H,10-11,14H2,1H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50528693
(CHEMBL4513389)Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl Show InChI InChI=1S/C18H15ClN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui Medical University
Curated by ChEMBL
| Assay Description
Inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Line weaver Burk reciprocal plot analysis |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111598
BindingDB Entry DOI: 10.7270/Q24F1V59 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248480
(7-(2,6-difluorobenzyl)-2-(isopropylamino)-9-(3-met...)Show SMILES COc1cccc(c1)-n1c2nc(NC(C)C)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C22H21F2N5O2/c1-13(2)26-21-25-11-19-20(27-21)29(14-6-4-7-15(10-14)31-3)22(30)28(19)12-16-17(23)8-5-9-18(16)24/h4-11,13H,12H2,1-3H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248577
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...)Show SMILES COc1cccc(c1)-n1c2nc(NCc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C25H20F2N6O2/c1-35-18-7-2-6-17(11-18)33-23-22(14-30-24(31-23)29-13-16-5-4-10-28-12-16)32(25(33)34)15-19-20(26)8-3-9-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248526
(2-(benzylamino)-7-(2,6-difluorobenzyl)-9-(3-methox...)Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C26H21F2N5O2/c1-35-19-10-5-9-18(13-19)33-24-23(15-30-25(31-24)29-14-17-7-3-2-4-8-17)32(26(33)34)16-20-21(27)11-6-12-22(20)28/h2-13,15H,14,16H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248265
(2-(cyclopropylamino)-9-(3,5-dimethoxyphenyl)-7-(2-...)Show SMILES COc1cc(OC)cc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O Show InChI InChI=1S/C24H25N5O4/c1-31-18-10-17(11-19(12-18)32-2)29-22-20(13-25-23(27-22)26-16-8-9-16)28(24(29)30)14-15-6-4-5-7-21(15)33-3/h4-7,10-13,16H,8-9,14H2,1-3H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248578
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-(p...)Show SMILES COc1cccc(c1)-n1c2nc(NCCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C26H22F2N6O2/c1-36-19-8-4-7-18(14-19)34-24-23(33(26(34)35)16-20-21(27)9-5-10-22(20)28)15-31-25(32-24)30-13-11-17-6-2-3-12-29-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248381
(7-(2-chlorobenzyl)-2-(cyclopropylamino)-9-(3-metho...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2Cl)c1=O Show InChI InChI=1S/C22H20ClN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248317
(2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-metho...)Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O Show InChI InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254459
(CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248527
(7-(2,6-difluorobenzyl)-2-(2-methoxyethylamino)-9-(...)Show SMILES COCCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 Show InChI InChI=1S/C22H21F2N5O3/c1-31-10-9-25-21-26-12-19-20(27-21)29(14-5-3-6-15(11-14)32-2)22(30)28(19)13-16-17(23)7-4-8-18(16)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50247931
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...)Show SMILES COc1cccc(c1)-n1c2nc(Nc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C24H18F2N6O2/c1-34-17-7-2-6-16(11-17)32-22-21(13-28-23(30-22)29-15-5-4-10-27-12-15)31(24(32)33)14-18-19(25)8-3-9-20(18)26/h2-13H,14H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254460
(CHEMBL499999 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 Show InChI InChI=1S/C32H41ClN4O4S/c1-25(2)24-41-29-12-8-27(9-13-29)22-37(23-32(38)34-20-28-6-4-5-7-31(28)33)42(39,40)30-14-10-26(11-15-30)21-36-18-16-35(3)17-19-36/h4-15,25H,16-24H2,1-3H3,(H,34,38) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50537512
(CHEMBL4637934)Show SMILES CC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C31H24N12O8S4/c1-16(44)22(25(45)18-11-6-3-7-12-18)37-36-19-13-8-14-20(15-19)43-24(17-9-4-2-5-10-17)21(26(46)34-28-38-40-30(52-28)54(32,48)49)23(42-43)27(47)35-29-39-41-31(53-29)55(33,50)51/h2-15,36H,1H3,(H2,32,48,49)(H2,33,50,51)(H,34,38,46)(H,35,39,47)/b37-22+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C eta expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50528690
(CHEMBL4545271)Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F Show InChI InChI=1S/C18H15FN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui Medical University
Curated by ChEMBL
| Assay Description
Inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Line weaver Burk reciprocal plot analysis |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111598
BindingDB Entry DOI: 10.7270/Q24F1V59 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254461
(CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254457
(CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...)Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50248380
(2-(cyclopropylamino)-7-(2-fluorobenzyl)-9-(3-metho...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2F)c1=O Show InChI InChI=1S/C22H20FN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248319
(2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-(tri...)Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(OC(F)(F)F)c2)c1=O Show InChI InChI=1S/C23H20F3N5O3/c1-33-19-8-3-2-5-14(19)13-30-18-12-27-21(28-15-9-10-15)29-20(18)31(22(30)32)16-6-4-7-17(11-16)34-23(24,25)26/h2-8,11-12,15H,9-10,13H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 206 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254462
(CHEMBL468492 | N-(2-methoxyphenethyl)-2-(N-(2-(ben...)Show SMILES COc1ccccc1CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H26Cl2N2O7S/c1-34-22-5-3-2-4-18(22)10-11-29-26(31)16-30(38(32,33)25-9-6-19(27)14-21(25)28)12-13-35-20-7-8-23-24(15-20)37-17-36-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248528
(2-(cyclopentylamino)-7-(2,6-difluorobenzyl)-9-(3-m...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CCCC3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C24H23F2N5O2/c1-33-17-9-4-8-16(12-17)31-22-21(13-27-23(29-22)28-15-6-2-3-7-15)30(24(31)32)14-18-19(25)10-5-11-20(18)26/h4-5,8-13,15H,2-3,6-7,14H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50248433
(2-(cyclopropylamino)-7-(2,6-difluorobenzyl)-9-(3-m...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C22H19F2N5O2/c1-31-15-5-2-4-14(10-15)29-20-19(11-25-21(27-20)26-13-8-9-13)28(22(29)30)12-16-17(23)6-3-7-18(16)24/h2-7,10-11,13H,8-9,12H2,1H3,(H,25,26,27) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 236 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50247932
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-mo...)Show SMILES COc1cccc(c1)-n1c2nc(NCCN3CCOCC3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C25H26F2N6O3/c1-35-18-5-2-4-17(14-18)33-23-22(32(25(33)34)16-19-20(26)6-3-7-21(19)27)15-29-24(30-23)28-8-9-31-10-12-36-13-11-31/h2-7,14-15H,8-13,16H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50247933
(7-(2,6-difluorobenzyl)-2-(2-(dimethylamino)ethylam...)Show SMILES COc1cccc(c1)-n1c2nc(NCCN(C)C)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C23H24F2N6O2/c1-29(2)11-10-26-22-27-13-20-21(28-22)31(15-6-4-7-16(12-15)33-3)23(32)30(20)14-17-18(24)8-5-9-19(17)25/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 261 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50254458
(CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38) | PDB
KEGG
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| CHEMBL
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| Article
PubMed
| 267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay |
Bioorg Med Chem Lett 19: 119-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM34152
(CHEMBL362628 | E-6801)Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C alpha expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50248318
(2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-m-tolyl...)Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(C)c2)c1=O Show InChI InChI=1S/C23H23N5O2/c1-15-6-5-8-18(12-15)28-21-19(13-24-22(26-21)25-17-10-11-17)27(23(28)29)14-16-7-3-4-9-20(16)30-2/h3-9,12-13,17H,10-11,14H2,1-2H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50248434
(2-(cyclopropylamino)-7-(2-fluoro-6-methoxybenzyl)-...)Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O Show InChI InChI=1S/C23H22FN5O3/c1-31-16-6-3-5-15(11-16)29-21-19(12-25-22(27-21)26-14-9-10-14)28(23(29)30)13-17-18(24)7-4-8-20(17)32-2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 19: 1399-402 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9 |
More data for this
Ligand-Target Pair | |
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