Found 79 hits with Last Name = 'gozzard' and Initial = 'n' 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)) | BDBM50113399
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccc(N)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-28-25-16-13-21(18-26(25)29-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-14-22(27)15-12-19/h2-4,7-8,11-16,18,23-24H,5-6,9-10,17,27H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 423 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113373
(2-Cyclopentyloxy-4-(1,2-diphenyl-ethyl)-1-methoxy-...)Show InChI InChI=1S/C26H28O2/c1-27-25-17-16-22(19-26(25)28-23-14-8-9-15-23)24(21-12-6-3-7-13-21)18-20-10-4-2-5-11-20/h2-7,10-13,16-17,19,23-24H,8-9,14-15,18H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113366
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)Show InChI InChI=1S/C25H33NO2/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/h2-4,7-8,11-12,18-19,22-23,26H,5-6,9-10,13-17H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113362
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES CCNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C28H33N3O3/c1-3-30-28(32)31-23-8-6-7-21(18-23)25(17-20-13-15-29-16-14-20)22-11-12-26(33-2)27(19-22)34-24-9-4-5-10-24/h6-8,11-16,18-19,24-25H,3-5,9-10,17H2,1-2H3,(H2,30,31,32)/t25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113380
(4-{(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-[4-...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(cc1)N1CCCS1(=O)=O Show InChI InChI=1S/C28H32N2O4S/c1-33-27-12-9-23(20-28(27)34-25-5-2-3-6-25)26(19-21-13-15-29-16-14-21)22-7-10-24(11-8-22)30-17-4-18-35(30,31)32/h7-16,20,25-26H,2-6,17-19H2,1H3/t26-/m1/s1 | 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 |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113389
(CHEMBL285766 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C26H30N2O4S/c1-31-25-12-9-21(18-26(25)32-23-5-3-4-6-23)24(17-19-13-15-27-16-14-19)20-7-10-22(11-8-20)28-33(2,29)30/h7-16,18,23-24,28H,3-6,17H2,1-2H3/t24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113372
(4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-thi...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccsc1 Show InChI InChI=1S/C23H25NO2S/c1-25-22-7-6-18(15-23(22)26-20-4-2-3-5-20)21(19-10-13-27-16-19)14-17-8-11-24-12-9-17/h6-13,15-16,20-21H,2-5,14H2,1H3/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089009
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(F)cccc2F)cc1)C(O)=O Show InChI InChI=1S/C22H22F2N2O5S/c1-13(27)26-12-32-11-20(26)21(28)25-19(22(29)30)9-14-5-7-15(8-6-14)31-10-16-17(23)3-2-4-18(16)24/h2-8,19-20H,9-12H2,1H3,(H,25,28)(H,29,30)/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089008
(Benzoic acid 4-{(S)-2-[((S)-3-acetyl-thiazolidine-...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C22H22N2O6S/c1-14(25)24-13-31-12-19(24)20(26)23-18(21(27)28)11-15-7-9-17(10-8-15)30-22(29)16-5-3-2-4-6-16/h2-10,18-19H,11-13H2,1H3,(H,23,26)(H,27,28)/t18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113377
(1-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES CNC(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C27H31N3O3/c1-28-27(31)30-22-10-7-20(8-11-22)24(17-19-13-15-29-16-14-19)21-9-12-25(32-2)26(18-21)33-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3,(H2,28,30,31)/t24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113363
(CHEMBL286921 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)Show SMILES CCCC(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C29H34N2O3/c1-3-6-29(32)31-24-12-9-22(10-13-24)26(19-21-15-17-30-18-16-21)23-11-14-27(33-2)28(20-23)34-25-7-4-5-8-25/h9-18,20,25-26H,3-8,19H2,1-2H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113381
(4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-pyr...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(O)cc1 Show InChI InChI=1S/C25H27NO3/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-26-15-13-18)19-6-9-21(27)10-7-19/h6-15,17,22-23,27H,2-5,16H2,1H3/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113390
(CHEMBL286118 | Pyrrolidine-1-carboxylic acid {3-[(...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(=O)N2CCCC2)c1 Show InChI InChI=1S/C30H35N3O3/c1-35-28-12-11-24(21-29(28)36-26-9-2-3-10-26)27(19-22-13-15-31-16-14-22)23-7-6-8-25(20-23)32-30(34)33-17-4-5-18-33/h6-8,11-16,20-21,26-27H,2-5,9-10,17-19H2,1H3,(H,32,34)/t27-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089005
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C22H22Cl2N2O5S/c1-13(27)26-12-32-11-20(26)21(28)25-19(22(29)30)9-14-5-7-15(8-6-14)31-10-16-17(23)3-2-4-18(16)24/h2-8,19-20H,9-12H2,1H3,(H,25,28)(H,29,30)/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Inhibition of CS-1 peptide binding to VLA-4 expressed in Ramos cells |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113378
(4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-fur...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccoc1 Show InChI InChI=1S/C23H25NO3/c1-25-22-7-6-18(15-23(22)27-20-4-2-3-5-20)21(19-10-13-26-16-19)14-17-8-11-24-12-9-17/h6-13,15-16,20-21H,2-5,14H2,1H3/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089004
(2,6-Dichloro-benzoic acid 4-{(S)-2-[((S)-3-acetyl-...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C22H20Cl2N2O6S/c1-12(27)26-11-33-10-18(26)20(28)25-17(21(29)30)9-13-5-7-14(8-6-13)32-22(31)19-15(23)3-2-4-16(19)24/h2-8,17-18H,9-11H2,1H3,(H,25,28)(H,29,30)/t17-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113392
(CHEMBL36559 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-meth...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C31H32N2O4S/c1-36-30-16-13-25(22-31(30)37-27-7-5-6-8-27)29(21-23-17-19-32-20-18-23)24-11-14-26(15-12-24)33-38(34,35)28-9-3-2-4-10-28/h2-4,9-20,22,27,29,33H,5-8,21H2,1H3/t29-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113387
(4-[(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1cc[n+]([O-])cc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3/c1-28-24-12-11-21(18-25(24)29-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26(27)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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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113386
(CHEMBL35011 | Propane-2-sulfonic acid {4-[(R)-1-(3...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)C(C)C)cc1 Show InChI InChI=1S/C28H34N2O4S/c1-20(2)35(31,32)30-24-11-8-22(9-12-24)26(18-21-14-16-29-17-15-21)23-10-13-27(33-3)28(19-23)34-25-6-4-5-7-25/h8-17,19-20,25-26,30H,4-7,18H2,1-3H3/t26-/m1/s1 | PDB
MMDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113369
(CHEMBL286421 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 Show InChI InChI=1S/C31H27F5N2O4S/c1-41-24-11-8-20(17-25(24)42-22-4-2-3-5-22)23(16-18-12-14-37-15-13-18)19-6-9-21(10-7-19)38-43(39,40)31-29(35)27(33)26(32)28(34)30(31)36/h6-15,17,22-23,38H,2-5,16H2,1H3/t23-/m1/s1 | PDB
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| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113391
(CHEMBL287359 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C32H34N2O4S/c1-37-31-16-13-27(22-32(31)38-29-9-5-6-10-29)30(21-24-17-19-33-20-18-24)26-11-14-28(15-12-26)34-39(35,36)23-25-7-3-2-4-8-25/h2-4,7-8,11-20,22,29-30,34H,5-6,9-10,21,23H2,1H3/t30-/m1/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113404
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(3-fluo...)Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1cccc(F)c1 Show InChI InChI=1S/C25H26FNO2/c1-28-24-10-9-20(17-25(24)29-22-7-2-3-8-22)23(15-18-11-13-27-14-12-18)19-5-4-6-21(26)16-19/h4-6,9-14,16-17,22-23H,2-3,7-8,15H2,1H3 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113396
(4-[(R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyr...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccncc1 Show InChI InChI=1S/C24H26N2O2/c1-27-23-7-6-20(17-24(23)28-21-4-2-3-5-21)22(19-10-14-26-15-11-19)16-18-8-12-25-13-9-18/h6-15,17,21-22H,2-5,16H2,1H3/t22-/m1/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113364
(CHEMBL416399 | N-(methylsulfonyl)-N-[4-(1-{3-cyclo...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(cc1)N(S(C)(=O)=O)S(C)(=O)=O Show InChI InChI=1S/C27H32N2O6S2/c1-34-26-13-10-22(19-27(26)35-24-6-4-5-7-24)25(18-20-14-16-28-17-15-20)21-8-11-23(12-9-21)29(36(2,30)31)37(3,32)33/h8-17,19,24-25H,4-7,18H2,1-3H3/t25-/m1/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089006
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cc(Cl)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C22H21Cl3N2O5S/c1-12(28)27-11-33-10-20(27)21(29)26-19(22(30)31)6-13-2-4-15(5-3-13)32-9-16-17(24)7-14(23)8-18(16)25/h2-5,7-8,19-20H,6,9-11H2,1H3,(H,26,29)(H,30,31)/t19-,20+/m0/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113371
(CHEMBL289012 | Pyrrolidine-1-carboxylic acid {4-[(...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C30H35N3O3/c1-35-28-13-10-24(21-29(28)36-26-6-2-3-7-26)27(20-22-14-16-31-17-15-22)23-8-11-25(12-9-23)32-30(34)33-18-4-5-19-33/h8-17,21,26-27H,2-7,18-20H2,1H3,(H,32,34)/t27-/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113385
(3-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES CCN(CC)C(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C30H37N3O3/c1-4-33(5-2)30(34)32-25-13-10-23(11-14-25)27(20-22-16-18-31-19-17-22)24-12-15-28(35-3)29(21-24)36-26-8-6-7-9-26/h10-19,21,26-27H,4-9,20H2,1-3H3,(H,32,34)/t27-/m1/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113367
(CHEMBL287167 | N,N-dimethyl-N'-{3-[(1S)-1-{3-cyclo...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NS(=O)(=O)N(C)C)c1 Show InChI InChI=1S/C27H33N3O4S/c1-30(2)35(31,32)29-23-8-6-7-21(18-23)25(17-20-13-15-28-16-14-20)22-11-12-26(33-3)27(19-22)34-24-9-4-5-10-24/h6-8,11-16,18-19,24-25,29H,4-5,9-10,17H2,1-3H3/t25-/m1/s1 | PDB
MMDB
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DrugBank
antibodypedia
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| CHEMBL
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PC sid
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| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089001
(Adamantane-1-carboxylic acid 4-{(S)-2-[((S)-3-acet...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(O)=O |TLB:27:26:29:21.22.23,27:22:29:28.26.25,23:24:28:21.22.27,THB:23:22:28:29.24.25| Show InChI InChI=1S/C26H32N2O6S/c1-15(29)28-14-35-13-22(28)23(30)27-21(24(31)32)9-16-2-4-20(5-3-16)34-25(33)26-10-17-6-18(11-26)8-19(7-17)12-26/h2-5,17-19,21-22H,6-14H2,1H3,(H,27,30)(H,31,32)/t17?,18?,19?,21-,22+,26?/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089007
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C23H23F3N2O5S/c1-14(29)28-13-34-12-20(28)21(30)27-19(22(31)32)10-15-6-8-17(9-7-15)33-11-16-4-2-3-5-18(16)23(24,25)26/h2-9,19-20H,10-13H2,1H3,(H,27,30)(H,31,32)/t19-,20+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113401
(3-{3-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES CCN(C)C(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C29H35N3O3/c1-4-32(2)29(33)31-24-9-7-8-22(19-24)26(18-21-14-16-30-17-15-21)23-12-13-27(34-3)28(20-23)35-25-10-5-6-11-25/h7-9,12-17,19-20,25-26H,4-6,10-11,18H2,1-3H3,(H,31,33)/t26-/m1/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113361
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(4-meth...)Show SMILES COc1ccc(cc1)C(Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C26H29NO3/c1-28-22-10-7-20(8-11-22)24(17-19-13-15-27-16-14-19)21-9-12-25(29-2)26(18-21)30-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089014
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(O)=O Show InChI InChI=1S/C22H22Cl2N2O5S/c1-13(27)26-12-32-11-20(26)21(28)25-19(22(29)30)8-14-2-4-18(5-3-14)31-10-15-6-16(23)9-17(24)7-15/h2-7,9,19-20H,8,10-12H2,1H3,(H,25,28)(H,29,30)/t19-,20+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113382
(4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-phenyl...)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 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113393
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES CNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C27H31N3O3/c1-28-27(31)30-22-7-5-6-20(17-22)24(16-19-12-14-29-15-13-19)21-10-11-25(32-2)26(18-21)33-23-8-3-4-9-23/h5-7,10-15,17-18,23-24H,3-4,8-9,16H2,1-2H3,(H2,28,30,31)/t24-/m1/s1 | PDB
MMDB
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UniChem
Similars
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113383
((3-{1-[3-((R)-Cyclopentyloxy)-4-methoxy-phenyl]-2-...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(N)=O)c1 Show InChI InChI=1S/C26H29N3O3/c1-31-24-10-9-20(17-25(24)32-22-7-2-3-8-22)23(15-18-11-13-28-14-12-18)19-5-4-6-21(16-19)29-26(27)30/h4-6,9-14,16-17,22-23H,2-3,7-8,15H2,1H3,(H3,27,29,30)/t23-/m1/s1 | PDB
MMDB
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PC sid
UniChem
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089004
(2,6-Dichloro-benzoic acid 4-{(S)-2-[((S)-3-acetyl-...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C22H20Cl2N2O6S/c1-12(27)26-11-33-10-18(26)20(28)25-17(21(29)30)9-13-5-7-14(8-6-13)32-22(31)19-15(23)3-2-4-16(19)24/h2-8,17-18H,9-11H2,1H3,(H,25,28)(H,29,30)/t17-,18+/m0/s1 | PDB
Reactome pathway
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PC sid
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089003
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C22H24N2O5S/c1-15(25)24-14-30-13-20(24)21(26)23-19(22(27)28)11-16-7-9-18(10-8-16)29-12-17-5-3-2-4-6-17/h2-10,19-20H,11-14H2,1H3,(H,23,26)(H,27,28)/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113398
(3-{3-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES CCN(CC)C(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C30H37N3O3/c1-4-33(5-2)30(34)32-25-10-8-9-23(20-25)27(19-22-15-17-31-18-16-22)24-13-14-28(35-3)29(21-24)36-26-11-6-7-12-26/h8-10,13-18,20-21,26-27H,4-7,11-12,19H2,1-3H3,(H,32,34)/t27-/m1/s1 | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113370
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(=O)NC(C)C)c1 Show InChI InChI=1S/C29H35N3O3/c1-20(2)31-29(33)32-24-8-6-7-22(18-24)26(17-21-13-15-30-16-14-21)23-11-12-27(34-3)28(19-23)35-25-9-4-5-10-25/h6-8,11-16,18-20,25-26H,4-5,9-10,17H2,1-3H3,(H2,31,32,33)/t26-/m1/s1 | PDB
MMDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089005
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C22H22Cl2N2O5S/c1-13(27)26-12-32-11-20(26)21(28)25-19(22(29)30)9-14-5-7-15(8-6-14)31-10-16-17(23)3-2-4-18(16)24/h2-8,19-20H,9-12H2,1H3,(H,25,28)(H,29,30)/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089006
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cc(Cl)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C22H21Cl3N2O5S/c1-12(28)27-11-33-10-20(27)21(29)26-19(22(30)31)6-13-2-4-15(5-3-13)32-9-16-17(24)7-14(23)8-18(16)25/h2-5,7-8,19-20H,6,9-11H2,1H3,(H,26,29)(H,30,31)/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113365
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)Show InChI InChI=1S/C24H26N2O2/c1-27-23-12-11-19(15-24(23)28-21-9-5-6-10-21)22(18-7-3-2-4-8-18)16-20-13-14-25-17-26-20/h2-4,7-8,11-15,17,21-22H,5-6,9-10,16H2,1H3 | PDB
MMDB
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DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113402
(5-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)Show InChI InChI=1S/C24H28N2O2/c1-26-17-25-16-20(26)15-22(18-8-4-3-5-9-18)19-12-13-23(27-2)24(14-19)28-21-10-6-7-11-21/h3-5,8-9,12-14,16-17,21-22H,6-7,10-11,15H2,1-2H3 | PDB
MMDB
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B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089012
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES COc1cccc(OC)c1COc1ccc(C[C@H](NC(=O)[C@H]2CSCN2C(C)=O)C(O)=O)cc1 Show InChI InChI=1S/C24H28N2O7S/c1-15(27)26-14-34-13-20(26)23(28)25-19(24(29)30)11-16-7-9-17(10-8-16)33-12-18-21(31-2)5-4-6-22(18)32-3/h4-10,19-20H,11-14H2,1-3H3,(H,25,28)(H,29,30)/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113400
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(4-fluo...)Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H26FNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113368
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)Show SMILES CCCNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C29H35N3O3/c1-3-15-31-29(33)32-24-8-6-7-22(19-24)26(18-21-13-16-30-17-14-21)23-11-12-27(34-2)28(20-23)35-25-9-4-5-10-25/h6-8,11-14,16-17,19-20,25-26H,3-5,9-10,15,18H2,1-2H3,(H2,31,32,33)/t26-/m1/s1 | PDB
MMDB
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B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113394
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(3-meth...)Show SMILES COc1cccc(c1)C(Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C26H29NO3/c1-28-23-9-5-6-20(17-23)24(16-19-12-14-27-15-13-19)21-10-11-25(29-2)26(18-21)30-22-7-3-4-8-22/h5-6,9-15,17-18,22,24H,3-4,7-8,16H2,1-2H3 | PDB
MMDB
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50089009
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(F)cccc2F)cc1)C(O)=O Show InChI InChI=1S/C22H22F2N2O5S/c1-13(27)26-12-32-11-20(26)21(28)25-19(22(29)30)9-14-5-7-15(8-6-14)31-10-16-17(23)3-2-4-18(16)24/h2-8,19-20H,9-12H2,1H3,(H,25,28)(H,29,30)/t19-,20+/m0/s1 | PDB
Reactome pathway
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience
Curated by ChEMBL
| Assay Description
The inhibition of PI3K-beta, PI3K-alpha, PI3K-gamma and PI3K-delta was evaluated in a Kinase Glo based enzyme activity assay using human recombinant ... |
Bioorg Med Chem Lett 10: 997-9 (2000)
BindingDB Entry DOI: 10.7270/Q23J3C6F |
More data for this
Ligand-Target Pair | |
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