Found 210 hits with Last Name = 'nakata' and Initial = 'a' 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 4A/4B/4C/4D
(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
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220990
(CHEMBL556179)Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C30H23N5O4/c1-38-25-13-20-12-21(17-36)33-28(24(20)15-26(25)39-2)18-9-11-32-27(14-18)35-30(37)23-8-4-3-7-22(23)29(34-35)19-6-5-10-31-16-19/h3-16,36H,17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220984
(CHEMBL554636)Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccs4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C29H22N4O4S/c1-36-23-13-18-12-19(16-34)31-27(22(18)15-24(23)37-2)17-9-10-30-26(14-17)33-29(35)21-7-4-3-6-20(21)28(32-33)25-8-5-11-38-25/h3-15,34H,16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220985
(CHEMBL553502)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCc5cccnc5)cccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C32H28N4O5.ClH/c1-39-28-14-22-13-23(18-37)35-31(26(22)16-29(28)40-2)21-8-11-34-30(15-21)36-12-9-24-25(32(36)38)6-3-7-27(24)41-19-20-5-4-10-33-17-20;/h3-12,14-17,23,37H,13,18-19H2,1-2H3;1H/t23-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220988
(CHEMBL544766)Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4nccs4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C28H21N5O4S/c1-36-22-12-17-11-18(15-34)31-25(21(17)14-23(22)37-2)16-7-8-29-24(13-16)33-28(35)20-6-4-3-5-19(20)26(32-33)27-30-9-10-38-27/h3-14,34H,15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220989
(CHEMBL542299)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C32H34N4O6.ClH/c1-39-28-17-22-16-23(20-37)34-31(26(22)19-29(28)40-2)21-6-8-33-30(18-21)36-9-7-24-25(32(36)38)4-3-5-27(24)42-15-12-35-10-13-41-14-11-35;/h3-9,17-19,23,37H,10-16,20H2,1-2H3;1H/t23-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074893
(2-[4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthale...)Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCC Show InChI InChI=1S/C34H30N4O5/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22/h5-18,39-40H,3-4,19-20H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]- rolipram binding to guinea pig brain |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074898
(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220986
(CHEMBL542650)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C31H27N5O4.ClH/c1-39-27-14-21-13-22(18-37)34-30(25(21)16-28(27)40-2)20-9-11-33-29(15-20)36-31(38)24-8-4-3-7-23(24)26(35-36)12-19-6-5-10-32-17-19;/h3-11,14-17,22,37H,12-13,18H2,1-2H3;1H/t22-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074901
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074901
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]- rolipram binding to guinea pig brain |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]- rolipram binding to guinea pig brain |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220992
(CHEMBL545700)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cncnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C29H24N6O4.ClH/c1-38-24-10-18-9-20(15-36)33-27(23(18)12-25(24)39-2)17-7-8-32-26(11-17)35-29(37)22-6-4-3-5-21(22)28(34-35)19-13-30-16-31-14-19;/h3-8,10-14,16,20,36H,9,15H2,1-2H3;1H/t20-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074889
(1-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4ccc3=O)c2cc1OC Show InChI InChI=1S/C28H24N2O5/c1-34-24-12-19-11-20(15-31)22(16-32)28(21(19)14-25(24)35-2)18-9-10-29-26(13-18)30-23-6-4-3-5-17(23)7-8-27(30)33/h3-14,31-32H,15-16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]- rolipram binding to guinea pig brain |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220991
(CHEMBL539265)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C30H25N5O4.ClH/c1-38-25-13-20-12-21(17-36)33-28(24(20)15-26(25)39-2)18-9-11-32-27(14-18)35-30(37)23-8-4-3-7-22(23)29(34-35)19-6-5-10-31-16-19;/h3-11,13-16,21,36H,12,17H2,1-2H3;1H/t21-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220987
(CHEMBL553278)Show SMILES Cl.COc1cc2nc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C31H25N5O5/c1-40-26-13-22-24(14-27(26)41-2)34-25(17-38)23(16-37)29(22)18-9-11-33-28(12-18)36-31(39)21-8-4-3-7-20(21)30(35-36)19-6-5-10-32-15-19/h3-15,37-38H,16-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rolipram binding to phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50524981
(CHEMBL4562879)Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074893
(2-[4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthale...)Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCC Show InChI InChI=1S/C34H30N4O5/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22/h5-18,39-40H,3-4,19-20H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description Inhibition of guinea pig lung Phosphodiesterase 4 |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074897
(2-[4-(7-Ethoxy-2,3-bis-hydroxymethyl-6-methoxy-nap...)Show SMILES CCOc1cc2c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c(CO)c(CO)cc2cc1OC Show InChI InChI=1S/C33H28N4O5/c1-3-42-29-16-26-22(14-28(29)41-2)13-23(18-38)27(19-39)31(26)20-10-12-35-30(15-20)37-33(40)25-9-5-4-8-24(25)32(36-37)21-7-6-11-34-17-21/h4-17,38-39H,3,18-19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50026877
(CHEMBL12346)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C32H26N2O5/c1-38-28-14-20-13-21(17-35)26(18-36)31(25(20)16-29(28)39-2)19-11-12-33-30(15-19)34-27-10-6-5-8-23(27)22-7-3-4-9-24(22)32(34)37/h3-16,35-36H,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia 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 |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(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
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220984
(CHEMBL554636)Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccs4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C29H22N4O4S/c1-36-23-13-18-12-19(16-34)31-27(22(18)15-24(23)37-2)17-9-10-30-26(14-17)33-29(35)21-7-4-3-6-20(21)28(32-33)25-8-5-11-38-25/h3-15,34H,16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220988
(CHEMBL544766)Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4nccs4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C28H21N5O4S/c1-36-22-12-17-11-18(15-34)31-25(21(17)14-23(22)37-2)16-7-8-29-24(13-16)33-28(35)20-6-4-3-5-19(20)26(32-33)27-30-9-10-38-27/h3-14,34H,15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220985
(CHEMBL553502)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCc5cccnc5)cccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C32H28N4O5.ClH/c1-39-28-14-22-13-23(18-37)35-31(26(22)16-29(28)40-2)21-8-11-34-30(15-21)36-12-9-24-25(32(36)38)6-3-7-27(24)41-19-20-5-4-10-33-17-20;/h3-12,14-17,23,37H,13,18-19H2,1-2H3;1H/t23-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074886
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4ccncc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C32H26N4O5/c1-40-27-14-21-13-22(17-37)26(18-38)30(25(21)16-28(27)41-2)20-9-12-34-29(15-20)36-32(39)24-6-4-3-5-23(24)31(35-36)19-7-10-33-11-8-19/h3-16,37-38H,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220989
(CHEMBL542299)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C32H34N4O6.ClH/c1-39-28-17-22-16-23(20-37)34-31(26(22)19-29(28)40-2)21-6-8-33-30(18-21)36-9-7-24-25(32(36)38)4-3-5-27(24)42-15-12-35-10-13-41-14-11-35;/h3-9,17-19,23,37H,10-16,20H2,1-2H3;1H/t23-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074894
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4ccccn4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C32H26N4O5/c1-40-27-14-20-13-21(17-37)25(18-38)30(24(20)16-28(27)41-2)19-10-12-34-29(15-19)36-32(39)23-8-4-3-7-22(23)31(35-36)26-9-5-6-11-33-26/h3-16,37-38H,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220990
(CHEMBL556179)Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C30H23N5O4/c1-38-25-13-20-12-21(17-36)33-28(24(20)15-26(25)39-2)18-9-11-32-27(14-18)35-30(37)23-8-4-3-7-22(23)29(34-35)19-6-5-10-31-16-19/h3-16,36H,17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074901
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074884
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3ncc4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C27H23N3O5/c1-34-23-10-18-9-19(14-31)22(15-32)26(21(18)12-24(23)35-2)16-7-8-28-25(11-16)30-27(33)20-6-4-3-5-17(20)13-29-30/h3-13,31-32H,14-15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074898
(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074898
(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074901
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074896
(2-[4-(6-Ethoxy-2,3-bis-hydroxymethyl-7-methoxy-nap...)Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC Show InChI InChI=1S/C33H28N4O5/c1-3-42-29-14-22-13-23(18-38)27(19-39)31(26(22)16-28(29)41-2)20-10-12-35-30(15-20)37-33(40)25-9-5-4-8-24(25)32(36-37)21-7-6-11-34-17-21/h4-17,38-39H,3,18-19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220991
(CHEMBL539265)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C30H25N5O4.ClH/c1-38-25-13-20-12-21(17-36)33-28(24(20)15-26(25)39-2)18-9-11-32-27(14-18)35-30(37)23-8-4-3-7-22(23)29(34-35)19-6-5-10-31-16-19;/h3-11,13-16,21,36H,12,17H2,1-2H3;1H/t21-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524985
(CHEMBL4460367)Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C20H19F2N5O2S/c1-11-8-19(26-25-11)27-10-17(30(3,28)29)15-6-7-18(24-20(15)27)23-12(2)14-5-4-13(21)9-16(14)22/h4-10,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524987
(CHEMBL4516801)Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N(C)C)c1ccc(F)cn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524983
(CHEMBL4458269)Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C1=CCOCC1)c1ccc(F)cn1 |r,t:21| Show InChI InChI=1S/C23H23FN6O/c1-14-11-22(29-28-14)30-13-19(16-7-9-31-10-8-16)18-4-6-21(27-23(18)30)26-15(2)20-5-3-17(24)12-25-20/h3-7,11-13,15H,8-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524981
(CHEMBL4562879)Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220986
(CHEMBL542650)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C31H27N5O4.ClH/c1-39-27-14-21-13-22(18-37)34-30(25(21)16-28(27)40-2)20-9-11-33-29(15-20)36-31(38)24-8-4-3-7-23(24)26(35-36)12-19-6-5-10-32-17-19;/h3-11,14-17,22,37H,12-13,18H2,1-2H3;1H/t22-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524980
(CHEMBL4437605)Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50524983
(CHEMBL4458269)Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C1=CCOCC1)c1ccc(F)cn1 |r,t:21| Show InChI InChI=1S/C23H23FN6O/c1-14-11-22(29-28-14)30-13-19(16-7-9-31-10-8-16)18-4-6-21(27-23(18)30)26-15(2)20-5-3-17(24)12-25-20/h3-7,11-13,15H,8-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50074889
(1-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4ccc3=O)c2cc1OC Show InChI InChI=1S/C28H24N2O5/c1-34-24-12-19-11-20(15-31)22(16-32)28(21(19)14-25(24)35-2)18-9-10-29-26(13-18)30-23-6-4-3-5-17(23)7-8-27(30)33/h3-14,31-32H,15-16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Company, Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of Phosphodiesterase 4 from guinea pig lung |
J Med Chem 42: 1088-99 (1999)
Article DOI: 10.1021/jm980314l BindingDB Entry DOI: 10.7270/Q25M66DH |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524979
(CHEMBL4440381)Show SMILES C[C@H](Oc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)C(=O)N1CCO[C@@H](C)C1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE 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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50220992
(CHEMBL545700)Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cncnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C29H24N6O4.ClH/c1-38-24-10-18-9-20(15-36)33-27(23(18)12-25(24)39-2)17-7-8-32-26(11-17)35-29(37)22-6-4-3-5-21(22)28(34-35)19-13-30-16-31-14-19;/h3-8,10-14,16,20,36H,9,15H2,1-2H3;1H/t20-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 13: 2347-50 (2003)
BindingDB Entry DOI: 10.7270/Q2HQ4236 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524984
(CHEMBL4434659)Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12 Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524984
(CHEMBL4434659)Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12 Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50524989
(CHEMBL4535072)Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cn1 |r| Show InChI InChI=1S/C19H19FN6O2S/c1-11-8-18(25-24-11)26-10-16(29(3,27)28)14-5-7-17(23-19(14)26)22-12(2)15-6-4-13(20)9-21-15/h4-10,12H,1-3H3,(H,22,23)(H,24,25)/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba... |
J Med Chem 62: 4915-4935 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57 |
More data for this Ligand-Target Pair | |