Found 125 hits with Last Name = 'eldred' and Initial = 'c' 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 4B
(Homo sapiens (Human)) | BDBM50415240
(CHEMBL595737)Show SMILES Cc1cc(cc2C(Nc3cncc(Cl)c3)C(=NNc12)C(N)=O)S(C)(=O)=O |c:16| Show InChI InChI=1S/C16H16ClN5O3S/c1-8-3-11(26(2,24)25)5-12-13(8)21-22-15(16(18)23)14(12)20-10-4-9(17)6-19-7-10/h3-7,14,20-21H,1-2H3,(H2,18,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PDE4B catalytic domain by scintillation proximity assay |
Bioorg Med Chem Lett 20: 137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4KPG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413296
(CHEMBL473764)Show SMILES COc1cc(Nc2c(cnc3c(C)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F Show InChI InChI=1S/C19H18FN3O4S/c1-10-6-12(28(3,25)26)8-13-17(10)22-9-14(19(21)24)18(13)23-11-4-5-15(20)16(7-11)27-2/h4-9H,1-3H3,(H2,21,24)(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50415241
(CHEMBL595549)Show SMILES CCn1nccc1NC1C(=NNc2c(C)cc(cc12)S(=O)(=O)CC)C(N)=O |c:10| Show InChI InChI=1S/C17H22N6O3S/c1-4-23-13(6-7-19-23)20-15-12-9-11(27(25,26)5-2)8-10(3)14(12)21-22-16(15)17(18)24/h6-9,15,20-21H,4-5H2,1-3H3,(H2,18,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PDE4B catalytic domain by scintillation proximity assay |
Bioorg Med Chem Lett 20: 137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4KPG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413297
(CHEMBL473560)Show SMILES Cc1cc(cc2c(Nc3cccc(c3)C#N)c(cnc12)C(N)=O)S(C)(=O)=O Show InChI InChI=1S/C19H16N4O3S/c1-11-6-14(27(2,25)26)8-15-17(11)22-10-16(19(21)24)18(15)23-13-5-3-4-12(7-13)9-20/h3-8,10H,1-2H3,(H2,21,24)(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50415243
(CHEMBL605095)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2NN=C(C(Nc3cncc(F)c3)c2c1)C(N)=O |c:12| Show InChI InChI=1S/C18H20FN5O3S/c1-18(2,3)28(26,27)12-4-5-14-13(7-12)15(16(17(20)25)24-23-14)22-11-6-10(19)8-21-9-11/h4-9,15,22-23H,1-3H3,(H2,20,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PDE4B catalytic domain by scintillation proximity assay |
Bioorg Med Chem Lett 20: 137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4KPG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50415244
(CHEMBL595054)Show SMILES CS(=O)(=O)c1cc(F)c2NN=C(C(Nc3cncc(F)c3)c2c1)C(N)=O |c:10| Show InChI InChI=1S/C15H13F2N5O3S/c1-26(24,25)9-3-10-12(11(17)4-9)21-22-14(15(18)23)13(10)20-8-2-7(16)5-19-6-8/h2-6,13,20-21H,1H3,(H2,18,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PDE4B catalytic domain by scintillation proximity assay |
Bioorg Med Chem Lett 20: 137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4KPG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50415242
(CHEMBL595745)Show SMILES CS(=O)(=O)c1ccc2NN=C(C(Nc3cncc(Cl)c3)c2c1)C(N)=O |c:9| Show InChI InChI=1S/C15H14ClN5O3S/c1-25(23,24)10-2-3-12-11(5-10)13(14(15(17)22)21-20-12)19-9-4-8(16)6-18-7-9/h2-7,13,19-20H,1H3,(H2,17,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PDE4B catalytic domain by scintillation proximity assay |
Bioorg Med Chem Lett 20: 137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4KPG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50415245
(CHEMBL593894)Show SMILES Cc1cc(cc2c(Nc3cccc(c3)C#N)c(C(N)=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C19H16N4O4S/c1-10-6-13(28(2,26)27)8-14-16(10)23-19(25)15(18(21)24)17(14)22-12-5-3-4-11(7-12)9-20/h3-8H,1-2H3,(H2,21,24)(H2,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PDE4B catalytic domain by scintillation proximity assay |
Bioorg Med Chem Lett 20: 137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4KPG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413291
(CHEMBL515240)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1 Show InChI InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413286
(CHEMBL517766)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4OCCc34)c2c1 Show InChI InChI=1S/C19H17N3O4S/c1-27(24,25)11-5-6-15-13(9-11)18(14(10-21-15)19(20)23)22-16-3-2-4-17-12(16)7-8-26-17/h2-6,9-10H,7-8H2,1H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413298
(CHEMBL462150)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1 Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413306
(CHEMBL515098)Show SMILES COc1cc(Nc2c(cnc3c(OC)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F Show InChI InChI=1S/C19H18FN3O5S/c1-27-15-6-10(4-5-14(15)20)23-17-12-7-11(29(3,25)26)8-16(28-2)18(12)22-9-13(17)19(21)24/h4-9H,1-3H3,(H2,21,24)(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413288
(CHEMBL517590)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3F)c2c1 Show InChI InChI=1S/C17H13ClFN3O3S/c1-26(24,25)9-5-6-13-10(7-9)16(11(8-21-13)17(20)23)22-14-4-2-3-12(18)15(14)19/h2-8H,1H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413299
(CHEMBL463417)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H14ClN3O3S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413285
(CHEMBL463418)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C18H14N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,1H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413301
(CHEMBL461111)Show SMILES COc1cc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)ccc1F Show InChI InChI=1S/C18H16FN3O4S/c1-26-16-7-10(3-5-14(16)19)22-17-12-8-11(27(2,24)25)4-6-15(12)21-9-13(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413307
(CHEMBL464009)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(CN)c3)c2c1 Show InChI InChI=1S/C18H18N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,9,19H2,1H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413300
(CHEMBL464207)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccnc3)c2c1 Show InChI InChI=1S/C16H14N4O3S/c1-24(22,23)11-4-5-14-12(7-11)15(13(9-19-14)16(17)21)20-10-3-2-6-18-8-10/h2-9H,1H3,(H2,17,21)(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413282
(CHEMBL517900)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(O)c3)c2c1 Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-19-15)17(18)22)20-10-3-2-4-11(21)7-10/h2-9,21H,1H3,(H2,18,22)(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413292
(CHEMBL473550)Show SMILES COc1cccc(Nc2c(CN)cnc3ccc(cc23)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C23H21N3O3S/c1-29-18-7-5-6-17(12-18)26-23-16(14-24)15-25-22-11-10-20(13-21(22)23)30(27,28)19-8-3-2-4-9-19/h2-13,15H,14,24H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413303
(CHEMBL514940)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C#N)c1 Show InChI InChI=1S/C18H15N3O3S/c1-24-14-5-3-4-13(8-14)21-18-12(10-19)11-20-17-7-6-15(9-16(17)18)25(2,22)23/h3-9,11H,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413290
(CHEMBL472958)Show SMILES CN(c1cccc(Cl)c1)c1c(cnc2ccc(cc12)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C18H16ClN3O3S/c1-22(12-5-3-4-11(19)8-12)17-14-9-13(26(2,24)25)6-7-16(14)21-10-15(17)18(20)23/h3-10H,1-2H3,(H2,20,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413289
(CHEMBL461989)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Oc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H13ClN2O4S/c1-25(22,23)12-5-6-15-13(8-12)16(14(9-20-15)17(19)21)24-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413293
(CHEMBL514301)Show SMILES CNC(=O)c1cnc2ccc(cc2c1Nc1cccc(OC)c1)S(C)(=O)=O Show InChI InChI=1S/C19H19N3O4S/c1-20-19(23)16-11-21-17-8-7-14(27(3,24)25)10-15(17)18(16)22-12-5-4-6-13(9-12)26-2/h4-11H,1-3H3,(H,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413287
(CHEMBL464615)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C18H15N3O5S/c1-27(25,26)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(7-11)18(23)24/h2-9H,1H3,(H2,19,22)(H,20,21)(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413295
(CHEMBL473355)Show SMILES COc1cccc(Nc2cc(nc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1 Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)20-16-10-17(18(19)22)21-15-7-6-13(9-14(15)16)26(2,23)24/h3-10H,1-2H3,(H2,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413304
(CHEMBL473551)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C23H18N2O5S/c1-30-16-7-5-6-15(12-16)25-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)24-14-20(22)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413305
(CHEMBL473153)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)-c2nc(C)no2)c1 Show InChI InChI=1S/C20H18N4O4S/c1-12-22-20(28-24-12)17-11-21-18-8-7-15(29(3,25)26)10-16(18)19(17)23-13-5-4-6-14(9-13)27-2/h4-11H,1-3H3,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413294
(CHEMBL473152)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)-c2nnc(C)o2)c1 Show InChI InChI=1S/C20H18N4O4S/c1-12-23-24-20(28-12)17-11-21-18-8-7-15(29(3,25)26)10-16(18)19(17)22-13-5-4-6-14(9-13)27-2/h4-11H,1-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413302
(CHEMBL461990)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Sc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-5-6-15-13(8-12)16(14(9-20-15)17(19)21)24-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413284
(CHEMBL462152)Show InChI InChI=1S/C11H11N3O3S/c1-18(16,17)6-2-3-9-7(4-6)10(12)8(5-14-9)11(13)15/h2-5H,1H3,(H2,12,14)(H2,13,15) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413283
(CHEMBL462151)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(NC3CCOCC3)c2c1 Show InChI InChI=1S/C16H19N3O4S/c1-24(21,22)11-2-3-14-12(8-11)15(13(9-18-14)16(17)20)19-10-4-6-23-7-5-10/h2-3,8-10H,4-7H2,1H3,(H2,17,20)(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using ethoxyresorufin as substrate after 10 mins by ... |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using 7-methoxy-4-trifluoromethylcoumarin-3-acetic a... |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using 3-butyryl-7-methoxycoumarin as substrate afte... |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using 4-methylaminomethyl-7-methoyxycoumarin as subs... |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 by VR metabolism assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 by VG metabolism assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149581
(CHEMBL3771149)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)N1CCOc2c(CCC(O)=O)cccc12 Show InChI InChI=1S/C22H22ClN3O4S/c1-13(2)30-18-8-6-15(12-16(18)23)21-24-25-22(31-21)26-10-11-29-20-14(7-9-19(27)28)4-3-5-17(20)26/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149582
(CHEMBL3770821)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)N1CCc2cc(CCC(O)=O)ccc12 Show InChI InChI=1S/C22H22ClN3O3S/c1-13(2)29-19-7-5-16(12-17(19)23)21-24-25-22(30-21)26-10-9-15-11-14(3-6-18(15)26)4-8-20(27)28/h3,5-7,11-13H,4,8-10H2,1-2H3,(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149572
(CHEMBL3771092)Show InChI InChI=1S/C17H15ClN2OS/c1-11(2)21-15-9-8-13(10-14(15)18)17-20-19-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149573
(CHEMBL3769742)Show InChI InChI=1S/C14H13ClN4OS/c1-8(2)20-12-4-3-9(5-11(12)15)13-18-19-14(21-13)10-6-16-17-7-10/h3-8H,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149583
(CHEMBL3770492)Show InChI InChI=1S/C13H12ClN5OS/c1-8(2)20-11-4-3-9(5-10(11)14)12-17-18-13(21-12)19-7-15-6-16-19/h3-8H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149584
(CHEMBL3770423)Show InChI InChI=1S/C14H12ClN3O2S/c1-8(2)19-11-4-3-9(7-10(11)15)13-17-18-14(21-13)12-5-6-16-20-12/h3-8H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149585
(CHEMBL3770352)Show InChI InChI=1S/C15H15ClN4OS/c1-8(2)21-13-5-4-10(6-12(13)16)14-19-20-15(22-14)11-7-17-18-9(11)3/h4-8H,1-3H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149586
(CHEMBL3770390)Show InChI InChI=1S/C15H15ClN4OS/c1-9(2)21-13-5-4-10(8-11(13)16)14-18-19-15(22-14)12-6-7-17-20(12)3/h4-9H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149587
(CHEMBL3770587)Show InChI InChI=1S/C16H16ClN3OS2/c1-8(2)21-13-6-5-11(7-12(13)17)15-19-20-16(23-15)14-9(3)18-10(4)22-14/h5-8H,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149588
(CHEMBL3770302)Show InChI InChI=1S/C15H15ClN4OS/c1-9(2)21-13-5-4-10(6-11(13)16)14-18-19-15(22-14)12-7-17-8-20(12)3/h4-9H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this Ligand-Target Pair | |