Found 127 hits with Last Name = 'galleway' and Initial = 'f' 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)) | BDBM50218255
(CHEMBL290100)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells |
Bioorg Med Chem Lett 12: 1613-5 (2002)
BindingDB Entry DOI: 10.7270/Q2D220S3 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218255
(CHEMBL290100)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243822
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243738
((S)-2-(2-Methylsulfanyl-3-oxo-spiro[3.5]non-1-en-1...)Show SMILES CSC1=C(N[C@@H](Cc2ccc(cc2)-n2c(nc3cccnc23)-c2cccnc2)C(O)=O)C2(CCCCC2)C1=O |r,c:2| Show InChI InChI=1S/C30H29N5O3S/c1-39-24-25(30(26(24)36)13-3-2-4-14-30)33-23(29(37)38)17-19-9-11-21(12-10-19)35-27(20-7-5-15-31-18-20)34-22-8-6-16-32-28(22)35/h5-12,15-16,18,23,33H,2-4,13-14,17H2,1H3,(H,37,38)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243737
((S)-2-(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-e...)Show SMILES CC(C)SC1=C(N[C@@H](Cc2ccc(cc2)-n2c(nc3cccnc23)-c2cccnc2)C(O)=O)C2(CCCCC2)C1=O |r,c:4| Show InChI InChI=1S/C32H33N5O3S/c1-20(2)41-26-27(32(28(26)38)14-4-3-5-15-32)35-25(31(39)40)18-21-10-12-23(13-11-21)37-29(22-8-6-16-33-19-22)36-24-9-7-17-34-30(24)37/h6-13,16-17,19-20,25,35H,3-5,14-15,18H2,1-2H3,(H,39,40)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218257
(CHEMBL69874)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1 Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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 |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243759
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CC(C)(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C28H31BrN4O3/c1-27(2,3)26-32-19-8-7-15-30-24(19)33(26)18-11-9-17(10-12-18)16-20(25(35)36)31-22-21(29)23(34)28(22)13-5-4-6-14-28/h7-12,15,20,31H,4-6,13-14,16H2,1-3H3,(H,35,36)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243758
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(Cl)nc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C29H25BrClN5O3/c30-23-24(29(25(23)37)12-2-1-3-13-29)34-21(28(38)39)15-17-6-9-19(10-7-17)36-26(18-8-11-22(31)33-16-18)35-20-5-4-14-32-27(20)36/h4-11,14,16,21,34H,1-3,12-13,15H2,(H,38,39)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243736
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H26BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h4-11,14-15,17,22,33H,1-3,12-13,16H2,(H,37,38)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243823
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCCN1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)13-3-1-4-14-29)33-22(28(37)38)17-18-9-11-19(12-10-18)35-26-21(8-6-16-32-26)34-27(35)20-7-2-5-15-31-20/h6,8-12,16,20,22,31,33H,1-5,7,13-15,17H2,(H,37,38)/t20?,22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219014
(CHEMBL149559)Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243824
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCNC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h5,7-11,15,19,22,31,33H,1-4,6,12-14,16-17H2,(H,37,38)/t19?,22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218258
(CHEMBL70146)Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218245
(CHEMBL65799)Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218245
(CHEMBL65799)Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243735
((S)-2-(2-Chloro-3-oxo-spiro[3.5]non-1-en-1-ylamino...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Cl)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H26ClN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h4-11,14-15,17,22,33H,1-3,12-13,16H2,(H,37,38)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243820
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(nc1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:35| Show InChI InChI=1S/C30H25BrF3N5O3/c31-23-24(29(25(23)40)12-2-1-3-13-29)37-21(28(41)42)15-17-6-9-19(10-7-17)39-26(38-20-5-4-14-35-27(20)39)18-8-11-22(36-16-18)30(32,33)34/h4-11,14,16,21,37H,1-3,12-13,15H2,(H,41,42)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243821
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(CC2CC2)nc2cccnc12)NC1=C(Br)C(=O)C11CCCCC1 |r,c:29| Show InChI InChI=1S/C28H29BrN4O3/c29-23-24(28(25(23)34)12-2-1-3-13-28)32-21(27(35)36)15-17-8-10-19(11-9-17)33-22(16-18-6-7-18)31-20-5-4-14-30-26(20)33/h4-5,8-11,14,18,21,32H,1-3,6-7,12-13,15-16H2,(H,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218257
(CHEMBL69874)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1 Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218246
(CHEMBL68323)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)O Show InChI InChI=1S/C17H14Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-8,22H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243818
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:21| Show InChI InChI=1S/C27H29BrN4O3/c1-16(2)24-31-19-7-6-14-29-25(19)32(24)18-10-8-17(9-11-18)15-20(26(34)35)30-22-21(28)23(33)27(22)12-4-3-5-13-27/h6-11,14,16,20,30H,3-5,12-13,15H2,1-2H3,(H,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243819
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CNc1ccc(cn1)-c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:27| Show InChI InChI=1S/C30H29BrN6O3/c1-32-23-12-9-19(17-34-23)27-36-21-6-5-15-33-28(21)37(27)20-10-7-18(8-11-20)16-22(29(39)40)35-25-24(31)26(38)30(25)13-3-2-4-14-30/h5-12,15,17,22,35H,2-4,13-14,16H2,1H3,(H,32,34)(H,39,40)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243757
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1COCCN1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C28H30BrN5O4/c29-22-23(28(24(22)35)10-2-1-3-11-28)32-20(27(36)37)15-17-6-8-18(9-7-17)34-25-19(5-4-12-31-25)33-26(34)21-16-38-14-13-30-21/h4-9,12,20-21,30,32H,1-3,10-11,13-16H2,(H,36,37)/t20-,21?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243756
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(CC#N)nc2cccnc12)NC1=C(Br)C(=O)C11CCCCC1 |r,c:27| Show InChI InChI=1S/C26H24BrN5O3/c27-21-22(26(23(21)33)11-2-1-3-12-26)31-19(25(34)35)15-16-6-8-17(9-7-16)32-20(10-13-28)30-18-5-4-14-29-24(18)32/h4-9,14,19,31H,1-3,10-12,15H2,(H,34,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50244342
((2S)-2-(2-bromo-4,4-dimethyl-3-oxocyclobut-1-enyla...)Show SMILES CC1(C)C(=O)C(Br)=C1N[C@@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)C(O)=O |r,c:6| Show InChI InChI=1S/C26H22BrN5O3/c1-26(2)21(20(27)22(26)33)30-19(25(34)35)13-15-7-9-17(10-8-15)32-23(16-5-3-11-28-14-16)31-18-6-4-12-29-24(18)32/h3-12,14,19,30H,13H2,1-2H3,(H,34,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243815
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CC(C)Cc1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C28H31BrN4O3/c1-17(2)15-22-31-20-7-6-14-30-26(20)33(22)19-10-8-18(9-11-19)16-21(27(35)36)32-24-23(29)25(34)28(24)12-4-3-5-13-28/h6-11,14,17,21,32H,3-5,12-13,15-16H2,1-2H3,(H,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243755
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CSCCc1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C27H29BrN4O3S/c1-36-15-11-21-30-19-6-5-14-29-25(19)32(21)18-9-7-17(8-10-18)16-20(26(34)35)31-23-22(28)24(33)27(23)12-3-2-4-13-27/h5-10,14,20,31H,2-4,11-13,15-16H2,1H3,(H,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243817
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCNCC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)17-18-6-8-20(9-7-18)35-26(19-10-15-31-16-11-19)34-21-5-4-14-32-27(21)35/h4-9,14,19,22,31,33H,1-3,10-13,15-17H2,(H,37,38)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219013
(CHEMBL343205)Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H13Cl2N3O4/c1-3-8-4-9-10(5-19-16(24-2)14(9)25-8)15(22)20-13-11(17)6-21(23)7-12(13)18/h4-7H,3H2,1-2H3,(H,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243816
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:30| Show InChI InChI=1S/C29H31BrN4O3/c30-23-24(29(25(23)35)14-4-1-5-15-29)32-22(28(36)37)17-18-10-12-20(13-11-18)34-26(19-7-2-3-8-19)33-21-9-6-16-31-27(21)34/h6,9-13,16,19,22,32H,1-5,7-8,14-15,17H2,(H,36,37)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218249
(CHEMBL304051)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(CC(C)(C)C)oc12 Show InChI InChI=1S/C20H20Cl2N2O3/c1-20(2,3)8-11-7-13-12(5-6-16(26-4)18(13)27-11)19(25)24-17-14(21)9-23-10-15(17)22/h5-7,9-10H,8H2,1-4H3,(H,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243814
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:29| Show InChI InChI=1S/C28H29BrN4O3/c29-22-23(28(24(22)34)13-2-1-3-14-28)31-21(27(35)36)16-17-9-11-19(12-10-17)33-25(18-6-4-7-18)32-20-8-5-15-30-26(20)33/h5,8-12,15,18,21,31H,1-4,6-7,13-14,16H2,(H,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50244341
((2S)-2-(2-chloro-4,4-dimethyl-3-oxocyclobut-1-enyl...)Show SMILES CC1(C)C(=O)C(Cl)=C1N[C@@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)C(O)=O |r,c:6| Show InChI InChI=1S/C26H22ClN5O3/c1-26(2)21(20(27)22(26)33)30-19(25(34)35)13-15-7-9-17(10-8-15)32-23(16-5-3-11-28-14-16)31-18-6-4-12-29-24(18)32/h3-12,14,19,30H,13H2,1-2H3,(H,34,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218246
(CHEMBL68323)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)O Show InChI InChI=1S/C17H14Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-8,22H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218255
(CHEMBL290100)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding in rat brain |
Bioorg Med Chem Lett 12: 1613-5 (2002)
BindingDB Entry DOI: 10.7270/Q2D220S3 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding in rat brain |
Bioorg Med Chem Lett 12: 1613-5 (2002)
BindingDB Entry DOI: 10.7270/Q2D220S3 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50219815
(CHEMBL43570)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding in rat brain |
Bioorg Med Chem Lett 12: 1613-5 (2002)
BindingDB Entry DOI: 10.7270/Q2D220S3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243753
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CN(C)c1ccc(cn1)-c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:28| Show InChI InChI=1S/C31H31BrN6O3/c1-37(2)24-13-10-20(18-34-24)28-36-22-7-6-16-33-29(22)38(28)21-11-8-19(9-12-21)17-23(30(40)41)35-26-25(32)27(39)31(26)14-4-3-5-15-31/h6-13,16,18,23,35H,3-5,14-15,17H2,1-2H3,(H,40,41)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243752
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:28| Show InChI InChI=1S/C25H22BrF3N4O3/c26-18-19(24(20(18)34)10-2-1-3-11-24)31-17(22(35)36)13-14-6-8-15(9-7-14)33-21-16(5-4-12-30-21)32-23(33)25(27,28)29/h4-9,12,17,31H,1-3,10-11,13H2,(H,35,36)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219018
(CHEMBL148584)Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOC1 Show InChI InChI=1S/C18H15Cl2N3O5/c1-26-18-16-10(4-14(28-16)9-2-3-27-8-9)11(5-21-18)17(24)22-15-12(19)6-23(25)7-13(15)20/h4-7,9H,2-3,8H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218259
(CHEMBL67898)Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50244384
((S)-2-(3-Oxo-spiro[3.5]non-1-en-1-ylamino)-3-[4-(2...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=CC(=O)C11CCCCC1 |r,t:31| Show InChI InChI=1S/C29H27N5O3/c35-25-17-24(29(25)12-2-1-3-13-29)32-23(28(36)37)16-19-8-10-21(11-9-19)34-26(20-6-4-14-30-18-20)33-22-7-5-15-31-27(22)34/h4-11,14-15,17-18,23,32H,1-3,12-13,16H2,(H,36,37)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218259
(CHEMBL67898)Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50219014
(CHEMBL149559)Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218258
(CHEMBL70146)Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding in rat brain tissue |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218255
(CHEMBL290100)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243750
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CN(C)c1ccnc(c1)-c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:28| Show InChI InChI=1S/C31H31BrN6O3/c1-37(2)21-12-16-33-23(18-21)29-36-22-7-6-15-34-28(22)38(29)20-10-8-19(9-11-20)17-24(30(40)41)35-26-25(32)27(39)31(26)13-4-3-5-14-31/h6-12,15-16,18,24,35H,3-5,13-14,17H2,1-2H3,(H,40,41)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219016
(CHEMBL149081)Show SMILES COCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H13Cl2N3O5/c1-24-7-8-3-9-10(4-19-16(25-2)14(9)26-8)15(22)20-13-11(17)5-21(23)6-12(13)18/h3-6H,7H2,1-2H3,(H,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
Search and Browse
