Found 807 hits with Last Name = 'kohno' and Initial = 'y' 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)) | BDBM50428571
(CHEMBL2337964)Show SMILES COc1ccc(C2=NN(CCCCOc3cccc(c3)C3=NNC(=O)C3(C)C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C29H31F3N6O4/c1-17-14-23(39)37(36-25(17)20-10-11-24(41-4)38-21(20)16-22(35-38)29(30,31)32)12-5-6-13-42-19-9-7-8-18(15-19)26-28(2,3)27(40)34-33-26/h7-11,15-17H,5-6,12-14H2,1-4H3,(H,34,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428575
(CHEMBL2337960)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(cc3)C3=NNC(=O)CC3)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C28H29F3N6O4/c1-17-15-25(39)36(13-3-4-14-41-19-7-5-18(6-8-19)21-10-11-24(38)33-32-21)35-27(17)20-9-12-26(40-2)37-22(20)16-23(34-37)28(29,30)31/h5-9,12,16-17H,3-4,10-11,13-15H2,1-2H3,(H,33,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493410
(CHEMBL2425826)Show SMILES CSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(nn12)C(F)(F)F Show InChI InChI=1S/C15H9Cl2F3N4OS/c1-26-12-3-2-7(10-4-11(15(18,19)20)23-24(10)12)14(25)22-13-8(16)5-21-6-9(13)17/h2-6H,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493427
(CHEMBL2425741)Show SMILES CNc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(nn12)C(F)(F)F Show InChI InChI=1S/C15H10Cl2F3N5O/c1-21-12-3-2-7(10-4-11(15(18,19)20)24-25(10)12)14(26)23-13-8(16)5-22-6-9(13)17/h2-6,21H,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493397
(CHEMBL2425746)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(nn12)C(F)F Show InChI InChI=1S/C15H10Cl2F2N4O2/c1-25-12-3-2-7(11-4-10(14(18)19)22-23(11)12)15(24)21-13-8(16)5-20-6-9(13)17/h2-6,14H,1H3,(H,20,21,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428579
(CHEMBL2337976)Show SMILES COc1ccc(C2=NN(CCCCCOc3ccc(cc3)C3=NNC(=O)CC3C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,22| Show InChI InChI=1S/C30H33F3N6O4/c1-18-15-25(40)34-35-28(18)20-7-9-21(10-8-20)43-14-6-4-5-13-38-26(41)16-19(2)29(37-38)22-11-12-27(42-3)39-23(22)17-24(36-39)30(31,32)33/h7-12,17-19H,4-6,13-16H2,1-3H3,(H,34,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493416
(CHEMBL2425761)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(nn12)C(F)(F)F Show InChI InChI=1S/C15H9Cl2F3N4O2/c1-26-12-3-2-7(10-4-11(15(18,19)20)23-24(10)12)14(25)22-13-8(16)5-21-6-9(13)17/h2-6H,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50428590
(CHEMBL2337969)Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)CC1 |t:15,30| Show InChI InChI=1S/C29H34N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-11,14,18-19H,4-6,12-13,15-17H2,1-3H3,(H,30,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428593
(CHEMBL2337966)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C29H30F4N6O4/c1-16-13-23(40)38(37-25(16)19-9-10-24(42-4)39-21(19)15-22(36-39)29(31,32)33)11-5-6-12-43-17-7-8-18(20(30)14-17)26-28(2,3)27(41)35-34-26/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,35,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428580
(CHEMBL2337958)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(cc3)C3=NNC(=O)CC3C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C29H31F3N6O4/c1-17-14-24(39)33-34-27(17)19-6-8-20(9-7-19)42-13-5-4-12-37-25(40)15-18(2)28(36-37)21-10-11-26(41-3)38-22(21)16-23(35-38)29(30,31)32/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,33,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428584
(CHEMBL2337975)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)C2(C)C)c2sc(nc12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C29H28F5N5O4S/c1-27(2)22(36-37-24(27)40)14-8-10-16(19(31)18(14)30)43-13-7-6-12-39-26(41)28(3,4)23(38-39)15-9-11-17(42-5)20-21(15)44-25(35-20)29(32,33)34/h8-11H,6-7,12-13H2,1-5H3,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428572
(CHEMBL2337963)Show SMILES COc1ccc(C2=NN(CCCCOc3cccc(c3)C3=NNC(=O)CC3C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C29H31F3N6O4/c1-17-13-24(39)33-34-27(17)19-7-6-8-20(15-19)42-12-5-4-11-37-25(40)14-18(2)28(36-37)21-9-10-26(41-3)38-22(21)16-23(35-38)29(30,31)32/h6-10,15-18H,4-5,11-14H2,1-3H3,(H,33,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428573
(CHEMBL2337962)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(cc3)C3=NNC(=O)C3(C)C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C29H31F3N6O4/c1-17-15-23(39)37(36-25(17)20-11-12-24(41-4)38-21(20)16-22(35-38)29(30,31)32)13-5-6-14-42-19-9-7-18(8-10-19)26-28(2,3)27(40)34-33-26/h7-12,16-17H,5-6,13-15H2,1-4H3,(H,34,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493389
(CHEMBL2425753)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(nn12)C1CC1 Show InChI InChI=1S/C17H14Cl2N4O2/c1-25-15-5-4-10(14-6-13(9-2-3-9)22-23(14)15)17(24)21-16-11(18)7-20-8-12(16)19/h4-9H,2-3H2,1H3,(H,20,21,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362508
(CHEMBL1940976)Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C20H19FN6O2/c1-11-10-29-20-17(26-7-6-25-13-4-2-3-5-24-13)15(21)16(23)14-18(20)27(11)9-12(8-22)19(14)28/h2-5,9,11,26H,6-7,10,23H2,1H3,(H,24,25)/t11-/m0/s1 | 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
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362522
(CHEMBL1940990)Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C21H20FN5O2/c1-12-11-29-21-18(26-8-4-6-14-5-2-3-7-25-14)16(22)17(24)15-19(21)27(12)10-13(9-23)20(15)28/h2-3,5,7,10,12,26H,4,6,8,11,24H2,1H3/t12-/m0/s1 | 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
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428588
(CHEMBL2337971)Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)C1(C)C |t:15,30| Show InChI InChI=1S/C30H36N6O4/c1-6-21-18-24-23(13-14-26(39-5)36(24)33-21)28-30(3,4)29(38)35(34-28)15-7-8-16-40-22-11-9-20(10-12-22)27-19(2)17-25(37)31-32-27/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,31,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428582
(CHEMBL2337956)Show SMILES COc1ccc(C2=NN(CCOc3ccc(cc3)C3=NNC(=O)CC3C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,19| Show InChI InChI=1S/C27H27F3N6O4/c1-15-12-22(37)31-32-25(15)17-4-6-18(7-5-17)40-11-10-35-23(38)13-16(2)26(34-35)19-8-9-24(39-3)36-20(19)14-21(33-36)27(28,29)30/h4-9,14-16H,10-13H2,1-3H3,(H,31,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428586
(CHEMBL2337973)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)c2sc(nc12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C28H26F5N5O4S/c1-27(2)24(15-7-10-18(41-3)22-23(15)43-25(34-22)28(31,32)33)37-38(26(27)40)12-4-5-13-42-17-9-6-14(20(29)21(17)30)16-8-11-19(39)36-35-16/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,36,39) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362513
(CHEMBL1940981)Show SMILES C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C19H19FN6O2/c1-11-10-28-19-16(23-4-2-6-25-7-3-5-24-25)14(20)15(22)13-17(19)26(11)9-12(8-21)18(13)27/h3,5,7,9,11,23H,2,4,6,10,22H2,1H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362518
(CHEMBL1940986)Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C19H19FN6O2/c1-11-9-28-19-16(24-3-2-5-25-6-4-23-10-25)14(20)15(22)13-17(19)26(11)8-12(7-21)18(13)27/h4,6,8,10-11,24H,2-3,5,9,22H2,1H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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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 |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(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
UniProtKB/SwissProt
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| PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin E2 receptor EP1 subtype
(Rattus norvegicus (Rat)) | BDBM50252472
(CHEMBL4085914)Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCC=CC1)C(O)=O |c:23| Show InChI InChI=1S/C18H17ClN4O2S/c1-11-7-14(17(24)25)21-23(11)10-12-8-13(19)9-15-16(12)20-18(26-15)22-5-3-2-4-6-22/h2-3,7-9H,4-6,10H2,1H3,(H,24,25) | Reactome pathway
KEGG
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| PC cid
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Watarase Research Center, Discovery Research Headquarters, Kyorin Pharmaceutical Co., Ltd., 1848, Nogi, Nogi-machi, Shimotsuga-gun, Tochigi 329-0114, Japan.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in i... |
Bioorg Med Chem 25: 3406-3430 (2017)
Article DOI: 10.1016/j.bmc.2017.04.028
BindingDB Entry DOI: 10.7270/Q2JW8HB8 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50428577
(CHEMBL2337953)Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)CC1C |t:15,30| Show InChI InChI=1S/C30H36N6O4/c1-5-22-18-25-24(12-13-28(39-4)36(25)33-22)30-20(3)17-27(38)35(34-30)14-6-7-15-40-23-10-8-21(9-11-23)29-19(2)16-26(37)31-32-29/h8-13,18-20H,5-7,14-17H2,1-4H3,(H,31,37) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428570
(CHEMBL2337965)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(cc3F)C3=NNC(=O)C3(C)C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,22| Show InChI InChI=1S/C29H30F4N6O4/c1-16-13-23(40)38(37-25(16)18-8-10-24(42-4)39-20(18)15-22(36-39)29(31,32)33)11-5-6-12-43-21-9-7-17(14-19(21)30)26-28(2,3)27(41)35-34-26/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,35,41) | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362511
(CHEMBL1940979)Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C22H21FN4O2/c1-13-12-29-22-19(26-9-5-8-14-6-3-2-4-7-14)17(23)18(25)16-20(22)27(13)11-15(10-24)21(16)28/h2-4,6-7,11,13,26H,5,8-9,12,25H2,1H3/t13-/m0/s1 | 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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493425
(CHEMBL2425775)Show SMILES COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(nn12)C(F)(F)F Show InChI InChI=1S/C15H9Cl2F3N4O3/c1-27-12-3-2-7(10-4-11(15(18,19)20)22-24(10)12)14(25)21-13-8(16)5-23(26)6-9(13)17/h2-6H,1H3,(H,21,25) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50428588
(CHEMBL2337971)Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)C1(C)C |t:15,30| Show InChI InChI=1S/C30H36N6O4/c1-6-21-18-24-23(13-14-26(39-5)36(24)33-21)28-30(3,4)29(38)35(34-28)15-7-8-16-40-22-11-9-20(10-12-22)27-19(2)17-25(37)31-32-27/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,31,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428577
(CHEMBL2337953)Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)CC1C |t:15,30| Show InChI InChI=1S/C30H36N6O4/c1-5-22-18-25-24(12-13-28(39-4)36(25)33-22)30-20(3)17-27(38)35(34-30)14-6-7-15-40-23-10-8-21(9-11-23)29-19(2)16-26(37)31-32-29/h8-13,18-20H,5-7,14-17H2,1-4H3,(H,31,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428591
(CHEMBL2337968)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C28H27F5N6O4/c1-15-13-23(41)38(37-27(15)17-6-10-24(42-2)39-19(17)14-21(36-39)28(31,32)33)11-3-4-12-43-20-8-5-16(25(29)26(20)30)18-7-9-22(40)35-34-18/h5-6,8,10,14-15H,3-4,7,9,11-13H2,1-2H3,(H,35,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362521
(CHEMBL1940989)Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(-c1nnn[nH]1)c3=O |r| Show InChI InChI=1S/C21H21FN8O2/c1-11-10-32-20-17(25-8-4-6-12-5-2-3-7-24-12)15(22)16(23)14-18(20)30(11)9-13(19(14)31)21-26-28-29-27-21/h2-3,5,7,9,11,25H,4,6,8,10,23H2,1H3,(H,26,27,28,29)/t11-/m0/s1 | 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
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50428589
(CHEMBL2337970)Show SMILES CCc1cc2c(ccc(OC)n2n1)-c1ccc(=O)n(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)n1 |t:33| Show InChI InChI=1S/C29H32N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,30,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493413
(CHEMBL2425748)Show SMILES COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccnn12 Show InChI InChI=1S/C14H10Cl2N4O3/c1-23-12-3-2-8(11-4-5-17-20(11)12)14(21)18-13-9(15)6-19(22)7-10(13)16/h2-7H,1H3,(H,18,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428590
(CHEMBL2337969)Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)CC1 |t:15,30| Show InChI InChI=1S/C29H34N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-11,14,18-19H,4-6,12-13,15-17H2,1-3H3,(H,30,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493394
(CHEMBL2425754)Show SMILES COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(nn12)C1CC1 Show InChI InChI=1S/C17H14Cl2N4O3/c1-26-15-5-4-10(14-6-13(9-2-3-9)21-23(14)15)17(24)20-16-11(18)7-22(25)8-12(16)19/h4-9H,2-3H2,1H3,(H,20,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493388
(CHEMBL2425758)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(nn12)C(C)=O Show InChI InChI=1S/C16H12Cl2N4O3/c1-8(23)12-5-13-9(3-4-14(25-2)22(13)21-12)16(24)20-15-10(17)6-19-7-11(15)18/h3-7H,1-2H3,(H,19,20,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493414
(CHEMBL2425763)Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(nn12)C(F)(F)F Show InChI InChI=1S/C16H10Cl2F3N3O2/c1-26-15-3-2-8(12-5-14(16(19,20)21)23-24(12)15)13(25)4-9-10(17)6-22-7-11(9)18/h2-3,5-7H,4H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
| Article
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50200120
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1 | PDB
MMDB
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B.MOAD
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CHEMBL
MCE
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PDB
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50200120
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1 | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
MCE
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UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate after 60 mins by OPA reagent based fluorescence assay |
Bioorg Med Chem Lett 27: 1045-1049 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.059
BindingDB Entry DOI: 10.7270/Q2MC9313 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50429098
(CHEMBL2335784)Show SMILES Cc1c(F)cccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 Show InChI InChI=1S/C18H16FN3O4S/c1-10-12(19)6-4-7-13(10)21-18(24)15-9-16(23)11-5-3-8-14(17(11)20-15)22-27(2,25)26/h3-9,22H,1-2H3,(H,20,23)(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
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UniChem
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20... |
Bioorg Med Chem Lett 23: 1553-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428581
(CHEMBL2337957)Show SMILES COc1ccc(C2=NN(CCCOc3ccc(cc3)C3=NNC(=O)CC3C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,20| Show InChI InChI=1S/C28H29F3N6O4/c1-16-13-23(38)32-33-26(16)18-5-7-19(8-6-18)41-12-4-11-36-24(39)14-17(2)27(35-36)20-9-10-25(40-3)37-21(20)15-22(34-37)28(29,30)31/h5-10,15-17H,4,11-14H2,1-3H3,(H,32,38) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50429094
(CHEMBL2335783)Show SMILES Cc1cc(F)ccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 Show InChI InChI=1S/C18H16FN3O4S/c1-10-8-11(19)6-7-13(10)21-18(24)15-9-16(23)12-4-3-5-14(17(12)20-15)22-27(2,25)26/h3-9,22H,1-2H3,(H,20,23)(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20... |
Bioorg Med Chem Lett 23: 1553-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428592
(CHEMBL2337967)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C29H29F5N6O4/c1-15-13-21(41)39(38-25(15)16-8-10-22(43-4)40-18(16)14-20(37-40)29(32,33)34)11-5-6-12-44-19-9-7-17(23(30)24(19)31)26-28(2,3)27(42)36-35-26/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,36,42) | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50428585
(CHEMBL2337974)Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)C2(C)C)n2cc(nc12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C29H29F5N6O4/c1-27(2)22(36-37-25(27)41)15-8-10-17(21(31)20(15)30)44-13-7-6-12-40-26(42)28(3,4)23(38-40)16-9-11-18(43-5)24-35-19(14-39(16)24)29(32,33)34/h8-11,14H,6-7,12-13H2,1-5H3,(H,37,41) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) by radiochemical assay |
Bioorg Med Chem Lett 23: 375-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.121
BindingDB Entry DOI: 10.7270/Q2B27WNB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50390627
(CHEMBL2069598)Show SMILES CCc1cc2c(ccc(C(C)O)n2n1)C1=NNC(=O)C1(C)C |t:16| Show InChI InChI=1S/C16H20N4O2/c1-5-10-8-13-11(14-16(3,4)15(22)18-17-14)6-7-12(9(2)21)20(13)19-10/h6-9,21H,5H2,1-4H3,(H,18,22) | PDB
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domain of PDE4B |
Bioorg Med Chem Lett 22: 5833-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.088
BindingDB Entry DOI: 10.7270/Q2QR4Z6H |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50429070
(CHEMBL2335742)Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20... |
Bioorg Med Chem Lett 23: 1553-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50429101
(CHEMBL2335780)Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C17H13F2N3O4S/c1-27(25,26)22-13-4-2-3-10-15(23)8-14(20-16(10)13)17(24)21-12-6-5-9(18)7-11(12)19/h2-8,22H,1H3,(H,20,23)(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20... |
Bioorg Med Chem Lett 23: 1553-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493407
(CHEMBL2425738)Show InChI InChI=1S/C15H9Cl2N5O2/c1-24-13-3-2-9(12-4-8(5-18)21-22(12)13)15(23)20-14-10(16)6-19-7-11(14)17/h2-4,6-7H,1H3,(H,19,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493415
(CHEMBL2425744)Show SMILES COCc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(nn12)C(F)(F)F Show InChI InChI=1S/C16H11Cl2F3N4O2/c1-27-7-8-2-3-9(12-4-13(16(19,20)21)24-25(8)12)15(26)23-14-10(17)5-22-6-11(14)18/h2-6H,7H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50493422
(CHEMBL2425771)Show InChI InChI=1S/C16H14F3N3O/c1-23-15-5-4-12(3-2-11-6-8-20-9-7-11)13-10-14(16(17,18)19)21-22(13)15/h4-10H,2-3H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of core catalytic domains PDE4B (unknown origin) |
Bioorg Med Chem Lett 23: 5311-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.069
BindingDB Entry DOI: 10.7270/Q20Z7663 |
More data for this
Ligand-Target Pair | |
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