Found 3337 hits with Last Name = 'ward' and Initial = 'n' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418229
(CHEMBL1760646)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418228
(CHEMBL1760645)Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.933 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418210
(CHEMBL1760664)Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418212
(CHEMBL1760663)Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418213
(CHEMBL1760661)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O Show InChI InChI=1S/C23H22F3N3O4/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(33-23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418211
(CHEMBL1760662)Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Thymidine phosphorylase
(Homo sapiens (Human)) | BDBM20079
(5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...)Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibitory activity against thymidine phosphorylase |
J Med Chem 48: 392-402 (2005)
Article DOI: 10.1021/jm049494r BindingDB Entry DOI: 10.7270/Q2445N8K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50077147
(CHEMBL3416846)Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 |r| Show InChI InChI=1S/C22H33N5O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50343829
((S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...)Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=N |r| Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Thymidine phosphorylase
(Escherichia coli) | BDBM50122770
(6-Amino-5-bromo-1H-pyrimidine-2,4-dione | 6-Amino-...)Show InChI InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibitory activity against Escherichia coli thymidine phosphorylase |
J Med Chem 48: 392-402 (2005)
Article DOI: 10.1021/jm049494r BindingDB Entry DOI: 10.7270/Q2445N8K |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50077146
(CHEMBL3416840)Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1nc(no1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)20-24-19(25-27-20)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50077143
(CHEMBL3416833)Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N |r| Show InChI InChI=1S/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50443388
(CHEMBL3086782 | US9688668, SLR080811)Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50443388
(CHEMBL3086782 | US9688668, SLR080811)Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of SphK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4956-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.041 BindingDB Entry DOI: 10.7270/Q28G8NHJ |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50343829
((S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...)Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=N |r| Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50077145
(CHEMBL3416836)Show SMILES Cl.[H][C@]1(C[C@@H](O)CN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50017016
(CHEMBL3287036)Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6- | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of SphK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4956-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.041 BindingDB Entry DOI: 10.7270/Q28G8NHJ |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50017016
(CHEMBL3287036)Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6- | UniProtKB/SwissProt
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| Article PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50393642
(CHEMBL2158685)Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27) | UniProtKB/SwissProt
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| Article PubMed
| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50393642
(CHEMBL2158685)Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27) | UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of SphK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4956-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.041 BindingDB Entry DOI: 10.7270/Q28G8NHJ |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50077147
(CHEMBL3416846)Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 |r| Show InChI InChI=1S/C22H33N5O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24)/t19-/m0/s1 | UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50077144
(CHEMBL3416835)Show SMILES Cl.[H][C@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-17(27)13-14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50077144
(CHEMBL3416835)Show SMILES Cl.[H][C@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-17(27)13-14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50443389
(CHEMBL2376441)Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50418228
(CHEMBL1760645)Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50077143
(CHEMBL3416833)Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N |r| Show InChI InChI=1S/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50077146
(CHEMBL3416840)Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1nc(no1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)20-24-19(25-27-20)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50077145
(CHEMBL3416836)Show SMILES Cl.[H][C@]1(C[C@@H](O)CN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50418210
(CHEMBL1760664)Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50418229
(CHEMBL1760646)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50443388
(CHEMBL3086782 | US9688668, SLR080811)Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50443388
(CHEMBL3086782 | US9688668, SLR080811)Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of SphK1 (unknown origin) |
Bioorg Med Chem Lett 25: 4956-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.041 BindingDB Entry DOI: 10.7270/Q28G8NHJ |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50077148
(CHEMBL3416760)Show InChI InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50312869
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18) | PDB
UniProtKB/SwissProt
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50312869
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18) | UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50443389
(CHEMBL2376441)Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1 | UniProtKB/SwissProt
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Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq... |
J Med Chem 58: 1879-99 (2015)
Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3 |
More data for this Ligand-Target Pair | |
Trans-sialidase
(Trypanosoma cruzi) | BDBM50118216
((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...)Show InChI InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) | PDB
UniProtKB/TrEMBL
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Patents
Similars
| Article PubMed
| 7.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi trans-Sialidase |
Bioorg Med Chem Lett 19: 589-96 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.065 BindingDB Entry DOI: 10.7270/Q2X92C7J |
More data for this Ligand-Target Pair | |
Trans-sialidase
(Trypanosoma cruzi) | BDBM4706
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 | PDB
UniProtKB/TrEMBL
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Similars
| PDB Article PubMed
| 1.23E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi trans-Sialidase |
Bioorg Med Chem Lett 19: 589-96 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.065 BindingDB Entry DOI: 10.7270/Q2X92C7J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418222
(CHEMBL1760652)Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)9-18(15)12-30-20-7-5-16(11-28)8-17(20)10-21(30)22(32)29-13-23(2,3)14-31/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.513 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418221
(CHEMBL1760653)Show SMILES Cc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24ClN3O2/c1-15-4-6-19(24)9-18(15)12-27-20-7-5-16(11-25)8-17(20)10-21(27)22(29)26-13-23(2,3)14-28/h4-10,28H,12-14H2,1-3H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.575 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418220
(CHEMBL1760654)Show SMILES Cc1ccc(C)c(Cn2c(cc3cc(ccc23)C#N)C(=O)NCC(C)(C)CO)c1 Show InChI InChI=1S/C24H27N3O2/c1-16-5-6-17(2)20(9-16)13-27-21-8-7-18(12-25)10-19(21)11-22(27)23(29)26-14-24(3,4)15-28/h5-11,28H,13-15H2,1-4H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank 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 |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418223
(CHEMBL1760651)Show SMILES COc1ccc(C)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H27N3O3/c1-16-5-8-22(30-4)19(9-16)13-27-20-7-6-17(12-25)10-18(20)11-21(27)23(29)26-14-24(2,3)15-28/h5-11,28H,13-15H2,1-4H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.759 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418224
(CHEMBL1760650)Show SMILES COc1ccc(Br)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24BrN3O3/c1-23(2,14-28)13-26-22(29)20-10-16-8-15(11-25)4-6-19(16)27(20)12-17-9-18(24)5-7-21(17)30-3/h4-10,28H,12-14H2,1-3H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.776 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50394785
(CHEMBL2163404)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(F)(F)C4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H29F2N9O2S/c1-17-13-22(34-33-17)31-24-21-3-2-10-38(21)35-26(32-24)41-20-6-4-19(5-7-20)30-23(39)15-36-11-8-18(14-36)25(40)37-12-9-27(28,29)16-37/h2-7,10,13,18H,8-9,11-12,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418229
(CHEMBL1760646)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.17 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418217
(CHEMBL1760657)Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O3/c1-33-21-5-3-18(24(25,26)27)9-17(21)12-30-19-4-2-15(11-28)8-16(19)10-20(30)22(32)29-13-23(14-31)6-7-23/h2-5,8-10,31H,6-7,12-14H2,1H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.32 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM12588
((2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)...)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H33ClN6O4S/c1-18-12-27(39-4)19(2)20(3)28(18)40(37,38)32-16-26(36)24(13-21-8-6-5-7-9-21)30-15-22-14-23(29)10-11-25(22)35-17-31-33-34-35/h5-12,14,17,24,26,30,32,36H,13,15-16H2,1-4H3/t24-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 8.0 | 22 |
Astex
| Assay Description The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o... |
J Med Chem 49: 1346-55 (2006)
Article DOI: 10.1021/jm050850v BindingDB Entry DOI: 10.7270/Q20863J2 |
More data for this Ligand-Target Pair | |