Found 337 hits with Last Name = 'staszewski' 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 |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317611
(4-(3,5-dichloropyridin-4-ylamino)-8-(3-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCN(C)C Show InChI InChI=1S/C20H21Cl2N3O4/c1-25(2)7-4-8-28-20-16(27-3)6-5-12-15(9-17(26)29-19(12)20)24-18-13(21)10-23-11-14(18)22/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,24) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317609
(8-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCC(O)=O Show InChI InChI=1S/C23H24Cl2N2O6/c1-31-18-9-8-14-17(27-21-15(24)12-26-13-16(21)25)11-20(30)33-22(14)23(18)32-10-6-4-2-3-5-7-19(28)29/h8-9,11-13H,2-7,10H2,1H3,(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317610
(9-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCC(O)=O Show InChI InChI=1S/C24H26Cl2N2O6/c1-32-19-10-9-15-18(28-22-16(25)13-27-14-17(22)26)12-21(31)34-23(15)24(19)33-11-7-5-3-2-4-6-8-20(29)30/h9-10,12-14H,2-8,11H2,1H3,(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
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MCE
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PC cid
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PDB
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| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317616
(4-(3,5-dichloropyridin-4-ylamino)-8-(8-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCN(C)C Show InChI InChI=1S/C25H31Cl2N3O4/c1-30(2)12-8-6-4-5-7-9-13-33-25-21(32-3)11-10-17-20(14-22(31)34-24(17)25)29-23-18(26)15-28-16-19(23)27/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,28,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317615
(4-(3,5-dichloropyridin-4-ylamino)-8-(7-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCN(C)C Show InChI InChI=1S/C24H29Cl2N3O4/c1-29(2)11-7-5-4-6-8-12-32-24-20(31-3)10-9-16-19(13-21(30)33-23(16)24)28-22-17(25)14-27-15-18(22)26/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,27,28) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317604
(2-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCC(O)=O Show InChI InChI=1S/C17H12Cl2N2O6/c1-25-12-3-2-8-11(21-15-9(18)5-20-6-10(15)19)4-14(24)27-16(8)17(12)26-7-13(22)23/h2-6H,7H2,1H3,(H,20,21)(H,22,23) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317614
(4-(3,5-dichloropyridin-4-ylamino)-8-(6-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCN(C)C Show InChI InChI=1S/C23H27Cl2N3O4/c1-28(2)10-6-4-5-7-11-31-23-19(30-3)9-8-15-18(12-20(29)32-22(15)23)27-21-16(24)13-26-14-17(21)25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27) | PDB
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317603
(8-(cyclopentyloxy)-4-(3,5-dichloropyridin-4-ylamin...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1 Show InChI InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317608
(7-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCC(O)=O Show InChI InChI=1S/C22H22Cl2N2O6/c1-30-17-8-7-13-16(26-20-14(23)11-25-12-15(20)24)10-19(29)32-21(13)22(17)31-9-5-3-2-4-6-18(27)28/h7-8,10-12H,2-6,9H2,1H3,(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317613
(4-(3,5-dichloropyridin-4-ylamino)-8-(5-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCN(C)C Show InChI InChI=1S/C22H25Cl2N3O4/c1-27(2)9-5-4-6-10-30-22-18(29-3)8-7-14-17(11-19(28)31-21(14)22)26-20-15(23)12-25-13-16(20)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317607
(6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCC(O)=O Show InChI InChI=1S/C21H20Cl2N2O6/c1-29-16-7-6-12-15(25-19-13(22)10-24-11-14(19)23)9-18(28)31-20(12)21(16)30-8-4-2-3-5-17(26)27/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327527
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3 | PDB
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UniChem
Patents
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PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317612
(4-(3,5-dichloropyridin-4-ylamino)-8-(4-(dimethylam...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCN(C)C Show InChI InChI=1S/C21H23Cl2N3O4/c1-26(2)8-4-5-9-29-21-17(28-3)7-6-13-16(10-18(27)30-20(13)21)25-19-14(22)11-24-12-15(19)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327528
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-3-yl)qu...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccnc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-9-6-18-13-20(16-27-12-10-17-4-7-21(25)8-5-17)24(28-23(18)14-22)19-3-2-11-26-15-19/h2-9,11,13-15,27H,10,12,16H2,1H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327516
(2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317606
(5-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCC(O)=O Show InChI InChI=1S/C20H18Cl2N2O6/c1-28-15-6-5-11-14(24-18-12(21)9-23-10-13(18)22)8-17(27)30-19(11)20(15)29-7-3-2-4-16(25)26/h5-6,8-10H,2-4,7H2,1H3,(H,23,24)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327540
(3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl...)Show SMILES Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1 Show InChI InChI=1S/C22H19BrN2OS/c23-19-3-1-15(2-4-19)7-9-24-13-18-11-17-12-20(26)5-6-21(17)25-22(18)16-8-10-27-14-16/h1-6,8,10-12,14,24,26H,7,9,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327521
(2-(4-chlorophenyl)-N-((7-methoxy-2-(thiophen-3-yl)...)Show SMILES COc1ccc2cc(CNCCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21ClN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21679
((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O Show InChI InChI=1S/C27H46O4/c1-6-18-22-14-17(28)9-11-27(22,5)21-10-12-26(4)19(15(2)13-16(3)25(30)31)7-8-20(26)23(21)24(18)29/h15-24,28-29H,6-14H2,1-5H3,(H,30,31)/t15-,16+,17-,18-,19-,20+,21+,22+,23+,24-,26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM21679
((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O Show InChI InChI=1S/C27H46O4/c1-6-18-22-14-17(28)9-11-27(22,5)21-10-12-26(4)19(15(2)13-16(3)25(30)31)7-8-20(26)23(21)24(18)29/h15-24,28-29H,6-14H2,1-5H3,(H,30,31)/t15-,16+,17-,18-,19-,20+,21+,22+,23+,24-,26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327538
(3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl...)Show SMILES Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19BrN2OS/c23-19-4-1-15(2-5-19)7-9-24-13-18-11-16-3-6-20(26)12-21(16)25-22(18)17-8-10-27-14-17/h1-6,8,10-12,14,24,26H,7,9,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327541
(3-((4-bromophenethylamino)methyl)-7-methoxy-2-(thi...)Show SMILES COc1cc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2cc1O Show InChI InChI=1S/C23H21BrN2O2S/c1-28-22-12-20-17(11-21(22)27)10-18(23(26-20)16-7-9-29-14-16)13-25-8-6-15-2-4-19(24)5-3-15/h2-5,7,9-12,14,25,27H,6,8,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50092350
((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...)Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327541
(3-((4-bromophenethylamino)methyl)-7-methoxy-2-(thi...)Show SMILES COc1cc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2cc1O Show InChI InChI=1S/C23H21BrN2O2S/c1-28-22-12-20-17(11-21(22)27)10-18(23(26-20)16-7-9-29-14-16)13-25-8-6-15-2-4-19(24)5-3-15/h2-5,7,9-12,14,25,27H,6,8,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327526
(2-(4-bromophenyl)-N-((7-methoxy-2-phenylquinolin-3...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccccc1 Show InChI InChI=1S/C25H23BrN2O/c1-29-23-12-9-20-15-21(17-27-14-13-18-7-10-22(26)11-8-18)25(28-24(20)16-23)19-5-3-2-4-6-19/h2-12,15-16,27H,13-14,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317599
(5-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-6-...)Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-14-13(19(17)27-12-4-2-3-5-12)8-9-24-20(14)25-18-15(21)10-23-11-16(18)22/h6-12H,2-5H2,1H3,(H,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327525
(2-(4-bromophenyl)-N-((2-(furan-2-yl)-7-methoxyquin...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccco1 Show InChI InChI=1S/C23H21BrN2O2/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327523
(2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-2-yl)q...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327520
(CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...)Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327524
(2-(4-bromophenyl)-N-((2-(furan-3-yl)-7-methoxyquin...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C23H21BrN2O2/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327518
(1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-...)Show InChI InChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327519
(1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-...)Show InChI InChI=1S/C23H22N2O2S/c1-26-20-6-3-16(4-7-20)13-24-14-19-11-17-5-8-21(27-2)12-22(17)25-23(19)18-9-10-28-15-18/h3-12,15,24H,13-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317605
(4-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...)Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCC(O)=O Show InChI InChI=1S/C19H16Cl2N2O6/c1-27-14-5-4-10-13(23-17-11(20)8-22-9-12(17)21)7-16(26)29-18(10)19(14)28-6-2-3-15(24)25/h4-5,7-9H,2-3,6H2,1H3,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327540
(3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl...)Show SMILES Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1 Show InChI InChI=1S/C22H19BrN2OS/c23-19-3-1-15(2-4-19)7-9-24-13-18-11-17-12-20(26)5-6-21(17)25-22(18)16-8-10-27-14-16/h1-6,8,10-12,14,24,26H,7,9,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317600
(8-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-7-...)Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-15-7-6-12-16(18(15)27-11-4-2-3-5-11)23-10-24-19(12)25-17-13(20)8-22-9-14(17)21/h6-11H,2-5H2,1H3,(H,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327531
(2-(4-bromophenyl)-N-((7-methoxy-2-(oxazol-2-yl)qui...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ncco1 Show InChI InChI=1S/C22H20BrN3O2/c1-27-19-7-4-16-12-17(14-24-9-8-15-2-5-18(23)6-3-15)21(26-20(16)13-19)22-25-10-11-28-22/h2-7,10-13,24H,8-9,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327522
(2-(3-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...)Show SMILES COc1ccc2cc(CNCCc3cccc(Br)c3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-6-5-17-12-19(14-25-9-7-16-3-2-4-20(24)11-16)23(26-22(17)13-21)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327516
(2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50317598
(8-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-7-...)Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-13-16(25-19-14(21)10-23-11-15(19)22)8-9-24-18(13)20(17)27-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr |
Bioorg Med Chem Lett 20: 2928-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.023
BindingDB Entry DOI: 10.7270/Q2VD6ZMF |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327527
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327521
(2-(4-chlorophenyl)-N-((7-methoxy-2-(thiophen-3-yl)...)Show SMILES COc1ccc2cc(CNCCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21ClN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327518
(1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-...)Show InChI InChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327525
(2-(4-bromophenyl)-N-((2-(furan-2-yl)-7-methoxyquin...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccco1 Show InChI InChI=1S/C23H21BrN2O2/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327520
(CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...)Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327534
(2-(4-bromophenyl)-N-((7-ethoxy-2-(thiophen-3-yl)qu...)Show SMILES CCOc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C24H23BrN2OS/c1-2-28-22-8-5-18-13-20(15-26-11-9-17-3-6-21(25)7-4-17)24(27-23(18)14-22)19-10-12-29-16-19/h3-8,10,12-14,16,26H,2,9,11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327523
(2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-2-yl)q...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50327528
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-3-yl)qu...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccnc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-9-6-18-13-20(16-27-12-10-17-4-7-21(25)8-5-17)24(28-23(18)14-22)19-3-2-11-26-15-19/h2-9,11,13-15,27H,10,12,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327532
(2-(4-bromophenyl)-N-((7-methyl-2-(thiophen-3-yl)qu...)Show SMILES Cc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2S/c1-16-2-5-18-13-20(14-25-10-8-17-3-6-21(24)7-4-17)23(26-22(18)12-16)19-9-11-27-15-19/h2-7,9,11-13,15,25H,8,10,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50327530
(2-(4-bromophenyl)-N-((7-methoxy-2-(thiazol-2-yl)qu...)Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1nccs1 Show InChI InChI=1S/C22H20BrN3OS/c1-27-19-7-4-16-12-17(14-24-9-8-15-2-5-18(23)6-3-15)21(26-20(16)13-19)22-25-10-11-28-22/h2-7,10-13,24H,8-9,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level |
Bioorg Med Chem Lett 20: 5718-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H |
More data for this
Ligand-Target Pair | |
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