Found 17 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50128419
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128423
(CHEMBL299931 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)Show SMILES OC(c1ccccc1)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C33H26F4N2O4/c34-31(35)42-28-13-11-23(20-29(28)43-32(36)37)27(19-22-15-17-39(41)18-16-22)24-12-14-30(38-21-24)33(40,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18,20-21,27,31-32,40H,19H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128428
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(C)C(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C30H28F4N2O4/c1-19(2)30(37,23-6-4-3-5-7-23)27-11-9-22(18-35-27)24(16-20-12-14-36(38)15-13-20)21-8-10-25(39-28(31)32)26(17-21)40-29(33)34/h3-15,17-19,24,28-29,37H,16H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128417
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CCC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C29H26F4N2O4/c1-2-29(36,22-6-4-3-5-7-22)26-11-9-21(18-34-26)23(16-19-12-14-35(37)15-13-19)20-8-10-24(38-27(30)31)25(17-20)39-28(32)33/h3-15,17-18,23,27-28,36H,2,16H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase-4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128419
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128420
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(C1CCCCC1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H30F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h7-14,16-17,21-22,26-27,35H,2-6,15H2,1H3 | PDB
MMDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128419
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128421
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES OC(c1ccccc1)(c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)C(F)(F)F Show InChI InChI=1S/C28H21F7N2O4/c29-25(30)40-22-8-6-18(15-23(22)41-26(31)32)21(14-17-10-12-37(39)13-11-17)19-7-9-24(36-16-19)27(38,28(33,34)35)20-4-2-1-3-5-20/h1-13,15-16,21,25-26,38H,14H2 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128427
(4-{2-(6-benzyl-3-pyridyl)-2-[3,4-di(difluoromethox...)Show SMILES [O-][n+]1ccc(CC(c2ccc(Cc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 Show InChI InChI=1S/C27H22F4N2O3/c28-26(29)35-24-9-7-20(16-25(24)36-27(30)31)23(15-19-10-12-33(34)13-11-19)21-6-8-22(32-17-21)14-18-4-2-1-3-5-18/h1-13,16-17,23,26-27H,14-15H2 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50064858
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1 | PDB
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase-4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128425
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(c1nccs1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C25H21F4N3O4S/c1-25(33,22-30-8-11-37-22)21-5-3-17(14-31-21)18(12-15-6-9-32(34)10-7-15)16-2-4-19(35-23(26)27)20(13-16)36-24(28)29/h2-11,13-14,18,23-24,33H,12H2,1H3 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128422
(CHEMBL56330 | {5-[1-(3,4-Bis-difluoromethoxy-pheny...)Show SMILES OC(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C27H22F4N2O4/c28-26(29)36-23-9-7-19(15-24(23)37-27(30)31)21(14-17-10-12-33(35)13-11-17)20-6-8-22(32-16-20)25(34)18-4-2-1-3-5-18/h1-13,15-16,21,25-27,34H,14H2 | PDB
MMDB
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase-4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128426
(2-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CCCCC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C26H28F4N2O4/c1-3-4-11-26(2,33)23-8-6-19(16-31-23)20(14-17-9-12-32(34)13-10-17)18-5-7-21(35-24(27)28)22(15-18)36-25(29)30/h5-10,12-13,15-16,20,24-25,33H,3-4,11,14H2,1-2H3 | PDB
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PC cid
PC sid
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128416
(CHEMBL57095 | {5-[1-(3,4-Bis-difluoromethoxy-pheny...)Show SMILES [O-][n+]1ccc(CC(c2ccc(nc2)C(=O)c2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 Show InChI InChI=1S/C27H20F4N2O4/c28-26(29)36-23-9-7-19(15-24(23)37-27(30)31)21(14-17-10-12-33(35)13-11-17)20-6-8-22(32-16-20)25(34)18-4-2-1-3-5-18/h1-13,15-16,21,26-27H,14H2 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase-4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128424
(2-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C23H22F4N2O4/c1-23(2,30)20-6-4-16(13-28-20)17(11-14-7-9-29(31)10-8-14)15-3-5-18(32-21(24)25)19(12-15)33-22(26)27/h3-10,12-13,17,21-22,30H,11H2,1-2H3 | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
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| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128419
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128418
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(=O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C22H18F4N2O4/c1-13(29)18-4-2-16(12-27-18)17(10-14-6-8-28(30)9-7-14)15-3-5-19(31-21(23)24)20(11-15)32-22(25)26/h2-9,11-12,17,21-22H,10H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this
Ligand-Target Pair | |
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