Found 135 hits with Last Name = 'howe' and Initial = 't' 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50278540
(1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydronaph...)Show SMILES CCN(CC)Cc1ccc2CC(CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50278501
(2-(4-chlorophenyl)-5-(1-methyl-3-(2-(pyrrolidin-1-...)Show SMILES Cn1cc(CCN2CCCC2)c2ccc(cc12)-n1ccc2nc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H25ClN4OS/c1-30-17-19(10-14-31-12-2-3-13-31)22-9-8-21(16-24(22)30)32-15-11-23-25(27(32)33)34-26(29-23)18-4-6-20(28)7-5-18/h4-9,11,15-17H,2-3,10,12-14H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50278539
((R)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3...)Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ccc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F3N4OS/c1-28-18-9-10-30(14-18)21-7-6-19(13-29-21)31-11-8-16-12-20(33-22(16)23(31)32)15-2-4-17(5-3-15)24(25,26)27/h2-8,11-13,18,28H,9-10,14H2,1H3/t18-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50278541
(2-(4-chlorophenyl)-6-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-c1cnc2[nH]c(cn2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-23-14-18(6-9-22(23)33-13-12-29-10-2-3-11-29)20-15-27-25-28-21(16-30(25)24(20)31)17-4-7-19(26)8-5-17/h4-9,14-16H,2-3,10-13H2,1H3,(H,27,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211166
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117721
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
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 |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117734
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
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 |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117711
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117719
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117724
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28) | PDB
MMDB
Reactome pathway
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 |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117721
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117715
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
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 |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50278456
(5-(5-((4-chlorobenzyloxy)methyl)-1,2,4-oxadiazol-3...)Show SMILES CC(C)N(C)c1nc2cc(ccc2[nH]1)-c1noc(COCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C21H22ClN5O2/c1-13(2)27(3)21-23-17-9-6-15(10-18(17)24-21)20-25-19(29-26-20)12-28-11-14-4-7-16(22)8-5-14/h4-10,13H,11-12H2,1-3H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117707
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117715
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117715
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117714
(CHEMBL90164 | N-(2-Dimethylamino-ethyl)-N-ethyl-3-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(CC)CCN(C)C Show InChI InChI=1S/C25H38N6O5S/c1-8-14-36-20-11-10-18(37(34,35)30(9-2)13-12-28(5)6)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)29(7)24(21)32/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117729
(3-Isobutyl-8-{5-[4-(2-methoxy-ethyl)-piperazine-1-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCOC)CC1 Show InChI InChI=1S/C26H38N6O6S/c1-6-14-38-21-8-7-19(39(35,36)31-11-9-30(10-12-31)13-15-37-5)16-20(21)23-27-22-24(28-23)32(17-18(2)3)26(34)29(4)25(22)33/h7-8,16,18H,6,9-15,17H2,1-5H3,(H,27,28) | PDB
MMDB
Reactome pathway
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PC sid
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117719
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117711
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117732
(3-Isobutyl-8-[2-isopropoxy-5-(4-methyl-piperazine-...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-15(2)14-30-22-20(23(31)28(6)24(30)32)25-21(26-22)18-13-17(7-8-19(18)35-16(3)4)36(33,34)29-11-9-27(5)10-12-29/h7-8,13,15-16H,9-12,14H2,1-6H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117724
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117722
(CHEMBL89239 | N-(2-Dimethylamino-ethyl)-3-(3-isobu...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(C)CCN(C)C Show InChI InChI=1S/C24H36N6O5S/c1-8-13-35-19-10-9-17(36(33,34)28(6)12-11-27(4)5)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)29(7)23(20)31/h9-10,14,16H,8,11-13,15H2,1-7H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117734
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117736
(8-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C24H34N6O6S/c1-5-36-19-7-6-17(37(34,35)29-10-8-28(9-11-29)12-13-31)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(33)27(4)23(20)32/h6-7,14,16,31H,5,8-13,15H2,1-4H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50150715
(4''-Fluoro-biphenyl-4-carboxylic acid (6-dimethyla...)Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1 Show InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30) | Reactome pathway
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) by [35S]GTPgammaS binding assay |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117701
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50278502
((R)-7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3/t21-/m1/s1 | Reactome pathway
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at MCH1R (unknown origin) by [35S]GTPgammaS binding assay |
J Med Chem 52: 2076-89 (2009)
Article DOI: 10.1021/jm8016199
BindingDB Entry DOI: 10.7270/Q2QN66NZ |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117718
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117708
(8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phen...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-28-10-12-29(13-11-28)36(33,34)17-8-9-19(35-7-2)18(14-17)21-25-20-22(26-21)30(15-16(3)4)24(32)27(5)23(20)31/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117704
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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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 |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117718
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117712
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117731
(3-Isobutyl-1-methyl-8-(2-propoxy-phenyl)-3,7-dihyd...)Show SMILES CCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117716
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C26H39N7O5S/c1-7-38-21-9-8-19(39(36,37)32-14-12-31(13-15-32)11-10-29(4)5)16-20(21)23-27-22-24(28-23)33(17-18(2)3)26(35)30(6)25(22)34/h8-9,16,18H,7,10-15,17H2,1-6H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50355897
(CHEMBL1910163)Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CN2CCN(Cc3ccc(F)cc3)CC2)CC1 Show InChI InChI=1S/C25H34FN3O4S/c1-32-23-7-8-24(33-2)25(17-23)34(30,31)29-11-9-21(10-12-29)19-28-15-13-27(14-16-28)18-20-3-5-22(26)6-4-20/h3-8,17,21H,9-16,18-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 6249-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117736
(8-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C24H34N6O6S/c1-5-36-19-7-6-17(37(34,35)29-10-8-28(9-11-29)12-13-31)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(33)27(4)23(20)32/h6-7,14,16,31H,5,8-13,15H2,1-4H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117725
(8-(2-Ethoxy-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)Show SMILES CCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C18H22N4O3/c1-5-25-13-9-7-6-8-12(13)15-19-14-16(20-15)22(10-11(2)3)18(24)21(4)17(14)23/h6-9,11H,5,10H2,1-4H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117723
(8-(2-Isobutoxy-phenyl)-3-isobutyl-1-methyl-3,7-dih...)Show SMILES CC(C)COc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N4O3/c1-12(2)10-24-18-16(19(25)23(5)20(24)26)21-17(22-18)14-8-6-7-9-15(14)27-11-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50355899
(CHEMBL1910165)Show SMILES Fc1ccc(OC2CCN(CCCCNC(=O)Nc3ccc(F)c(F)c3)C2)cc1 Show InChI InChI=1S/C21H24F3N3O2/c22-15-3-6-17(7-4-15)29-18-9-12-27(14-18)11-2-1-10-25-21(28)26-16-5-8-19(23)20(24)13-16/h3-8,13,18H,1-2,9-12,14H2,(H2,25,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 6249-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117732
(3-Isobutyl-8-[2-isopropoxy-5-(4-methyl-piperazine-...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-15(2)14-30-22-20(23(31)28(6)24(30)32)25-21(26-22)18-13-17(7-8-19(18)35-16(3)4)36(33,34)29-11-9-27(5)10-12-29/h7-8,13,15-16H,9-12,14H2,1-6H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117717
(3-Isobutyl-8-(2-isopropoxy-phenyl)-1-methyl-3,7-di...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1OC(C)C Show InChI InChI=1S/C19H24N4O3/c1-11(2)10-23-17-15(18(24)22(5)19(23)25)20-16(21-17)13-8-6-7-9-14(13)26-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50355898
(CHEMBL1910164)Show InChI InChI=1S/C20H25ClFN3O2/c1-25(14-15-5-8-17(22)9-6-15)12-4-3-11-23-20(26)24-18-13-16(21)7-10-19(18)27-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,23,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 6249-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117707
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117731
(3-Isobutyl-1-methyl-8-(2-propoxy-phenyl)-3,7-dihyd...)Show SMILES CCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117729
(3-Isobutyl-8-{5-[4-(2-methoxy-ethyl)-piperazine-1-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCOC)CC1 Show InChI InChI=1S/C26H38N6O6S/c1-6-14-38-21-8-7-19(39(35,36)31-11-9-30(10-12-31)13-15-37-5)16-20(21)23-27-22-24(28-23)32(17-18(2)3)26(34)29(4)25(22)33/h7-8,16,18H,6,9-15,17H2,1-5H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117728
(3-(2,2-Dimethyl-propyl)-8-[2-ethoxy-5-(4-methyl-pi...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-7-35-18-9-8-16(36(33,34)29-12-10-27(5)11-13-29)14-17(18)20-25-19-21(26-20)30(15-24(2,3)4)23(32)28(6)22(19)31/h8-9,14H,7,10-13,15H2,1-6H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117705
(8-[2-Isobutoxy-5-(4-methyl-piperazine-1-sulfonyl)-...)Show SMILES CC(C)COc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-16(2)14-31-23-21(24(32)29(6)25(31)33)26-22(27-23)19-13-18(7-8-20(19)36-15-17(3)4)37(34,35)30-11-9-28(5)10-12-30/h7-8,13,16-17H,9-12,14-15H2,1-6H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117703
(3-But-3-enyl-8-[2-ethoxy-5-(4-methyl-piperazine-1-...)Show SMILES CCOc1ccc(cc1-c1nc2n(CCC=C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-5-7-10-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(8-9-18(17)34-6-2)35(32,33)28-13-11-26(3)12-14-28/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117701
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
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