Found 512 hits with Last Name = 'iwata' and Initial = 'h' 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 |
|---|
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
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MCE
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PC cid
PC sid
PDB
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Patents
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| DrugBank
PDB
Article
PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50327046
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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| PDB
Article
PubMed
| 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50327046
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
MMDB
PC cid
PC sid
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| PDB
Article
PubMed
| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assay |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| DrugBank
PDB
Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assay |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260712
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-iso...)Show SMILES CC(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C19H28N4O3/c1-12(2)10-11-22-13-8-6-7-9-14(13)23(18(22)26)17(25)21-15(16(20)24)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t15-/m1/s1 | PDB
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB
MMDB
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| DrugBank
PDB
Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50377918
(CHEMBL1162994)Show SMILES CC(C)(C)C(NC(=O)n1c2ccccc2n(CCC2CCOCC2)c1=O)C(N)=O Show InChI InChI=1S/C21H30N4O4/c1-21(2,3)17(18(22)26)23-19(27)25-16-7-5-4-6-15(16)24(20(25)28)11-8-14-9-12-29-13-10-14/h4-7,14,17H,8-13H2,1-3H3,(H2,22,26)(H,23,27) | PDB
Reactome pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50327046
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
MMDB
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PC sid
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| PDB
Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260672
((S)-N-(1-cyano-2,2-dimethylpropyl)-3-(2-morpholino...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C#N |r| Show InChI InChI=1S/C20H27N5O3/c1-20(2,3)17(14-21)22-18(26)25-16-7-5-4-6-15(16)24(19(25)27)9-8-23-10-12-28-13-11-23/h4-7,17H,8-13H2,1-3H3,(H,22,26)/t17-/m1/s1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260627
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H29N5O4/c1-20(2,3)16(17(21)26)22-18(27)25-15-7-5-4-6-14(15)24(19(25)28)9-8-23-10-12-29-13-11-23/h4-7,16H,8-13H2,1-3H3,(H2,21,26)(H,22,27)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260673
((S)-N-(2,2-dimethyl-1-(2-methyl-2H-tetrazol-5-yl)p...)Show SMILES Cn1nnc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)17(18-23-25-26(4)24-18)22-19(30)29-16-8-6-5-7-15(16)28(20(29)31)10-9-27-11-13-32-14-12-27/h5-8,17H,9-14H2,1-4H3,(H,22,30)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260709
(CHEMBL496497 | N-((S)-1-amino-3,3-dimethyl-1-oxobu...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2CCCO2)c1=O)C(N)=O |r| Show InChI InChI=1S/C19H26N4O4/c1-19(2,3)15(16(20)24)21-17(25)23-14-9-5-4-8-13(14)22(18(23)26)11-12-7-6-10-27-12/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1 | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261052
((R)-3-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)Show SMILES O=C(N[C@@H]1CCCc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O |r| Show InChI InChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1 | PDB
Reactome pathway
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260753
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(3-...)Show SMILES CC(C)(O)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261051
(3-(2-morpholinoethyl)-N-(naphthalen-1-yl)-2-oxo-2,...)Show SMILES O=C(Nc1cccc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O Show InChI InChI=1S/C24H24N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-11H,12-17H2,(H,25,29) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261099
((R)-1-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)Show SMILES O=C(N[C@@H]1CCCc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O |r| Show InChI InChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260514
((S)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-3-(2-morp...)Show SMILES CC(C)(C)[C@@H](CO)NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O |r| Show InChI InChI=1S/C20H30N4O4/c1-20(2,3)17(14-25)21-18(26)24-16-7-5-4-6-15(16)23(19(24)27)9-8-22-10-12-28-13-11-22/h4-7,17,25H,8-14H2,1-3H3,(H,21,26)/t17-/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260674
((S)-N-(2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-...)Show SMILES Cc1noc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C22H30N6O4/c1-15-23-19(32-25-15)18(22(2,3)4)24-20(29)28-17-8-6-5-7-16(17)27(21(28)30)10-9-26-11-13-31-14-12-26/h5-8,18H,9-14H2,1-4H3,(H,24,29)/t18-/m1/s1 | PDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260626
((S)-N'-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)17(18(27)22-4)23-19(28)26-16-8-6-5-7-15(16)25(20(26)29)10-9-24-11-13-30-14-12-24/h5-8,17H,9-14H2,1-4H3,(H,22,27)(H,23,28)/t17-/m1/s1 | PDB
Reactome pathway
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
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| DrugBank
PDB
Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50327046
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
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Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysis |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260538
((S)-N-(1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2...)Show SMILES CN(C)C(=O)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C22H33N5O4/c1-22(2,3)18(19(28)24(4)5)23-20(29)27-17-9-7-6-8-16(17)26(21(27)30)11-10-25-12-14-31-15-13-25/h6-9,18H,10-15H2,1-5H3,(H,23,29)/t18-/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261053
(1-(2-morpholinoethyl)-N-(naphthalen-1-yl)-2-oxo-1,...)Show SMILES O=C(Nc1cccc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O Show InChI InChI=1S/C25H26N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-11H,12-18H2,(H,26,30) | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260512
(CHEMBL494563 | N-(2-hydroxy-1,2,3,4-tetrahydronaph...)Show SMILES OC1CCc2ccccc2C1NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O Show InChI InChI=1S/C24H28N4O4/c29-21-10-9-17-5-1-2-6-18(17)22(21)25-23(30)28-20-8-4-3-7-19(20)27(24(28)31)12-11-26-13-15-32-16-14-26/h1-8,21-22,29H,9-16H2,(H,25,30) | PDB
Reactome pathway
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261100
(CHEMBL494627 | N-cyclohexyl-3-(2-morpholinoethyl)-...)Show InChI InChI=1S/C20H28N4O3/c25-19(21-16-6-2-1-3-7-16)24-18-9-5-4-8-17(18)23(20(24)26)11-10-22-12-14-27-15-13-22/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260628
(CHEMBL495391 | N-((2S,3S)-1-amino-3-methyl-1-oxope...)Show SMILES CC[C@H](C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H29N5O4/c1-3-14(2)17(18(21)26)22-19(27)25-16-7-5-4-6-15(16)24(20(25)28)9-8-23-10-12-29-13-11-23/h4-7,14,17H,3,8-13H2,1-2H3,(H2,21,26)(H,22,27)/t14-,17-/m0/s1 | PDB
Reactome pathway
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260712
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-iso...)Show SMILES CC(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C19H28N4O3/c1-12(2)10-11-22-13-8-6-7-9-14(13)23(18(22)26)17(25)21-15(16(20)24)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
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| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260511
(CHEMBL495407 | N-(chroman-4-yl)-3-(2-morpholinoeth...)Show SMILES O=C(NC1CCOc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O Show InChI InChI=1S/C23H26N4O4/c28-22(24-18-9-14-31-21-8-4-1-5-17(18)21)27-20-7-3-2-6-19(20)26(23(27)29)11-10-25-12-15-30-16-13-25/h1-8,18H,9-16H2,(H,24,28) | PDB
Reactome pathway
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| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260750
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-((4...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2(O)CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H28N4O5/c1-19(2,3)15(16(21)25)22-17(26)24-14-7-5-4-6-13(14)23(18(24)27)12-20(28)8-10-29-11-9-20/h4-7,15,28H,8-12H2,1-3H3,(H2,21,25)(H,22,26)/t15-/m1/s1 | PDB
Reactome pathway
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PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260751
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCC2(O)CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C21H30N4O5/c1-20(2,3)16(17(22)26)23-18(27)25-15-7-5-4-6-14(15)24(19(25)28)11-8-21(29)9-12-30-13-10-21/h4-7,16,29H,8-13H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m1/s1 | PDB
Reactome pathway
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PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260752
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)Show SMILES CC(C)(O)Cn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C18H26N4O4/c1-17(2,3)13(14(19)23)20-15(24)22-12-9-7-6-8-11(12)21(16(22)25)10-18(4,5)26/h6-9,13,26H,10H2,1-5H3,(H2,19,23)(H,20,24)/t13-/m1/s1 | PDB
Reactome pathway
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PubMed
| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261102
(CHEMBL493804 | N-(1-(4-fluorophenyl)ethyl)-3-(2-mo...)Show SMILES CC(NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN4O3/c1-16(17-6-8-18(23)9-7-17)24-21(28)27-20-5-3-2-4-19(20)26(22(27)29)11-10-25-12-14-30-15-13-25/h2-9,16H,10-15H2,1H3,(H,24,28) | PDB
Reactome pathway
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PubMed
| 232 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260710
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-2-oxo...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H29N5O3/c1-20(2,3)16(17(21)26)22-18(27)25-15-9-5-4-8-14(15)24(19(25)28)13-12-23-10-6-7-11-23/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H2,21,26)(H,22,27)/t16-/m1/s1 | PDB
Reactome pathway
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Similars
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PubMed
| 242 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260711
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)Show SMILES CN(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C18H27N5O3/c1-18(2,3)14(15(19)24)20-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-21(4)5/h6-9,14H,10-11H2,1-5H3,(H2,19,24)(H,20,25)/t14-/m1/s1 | PDB
Reactome pathway
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PC sid
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Similars
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PubMed
| 338 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260513
(CHEMBL494564 | N-((1S,2S)-2-hydroxycyclohexyl)-3-(...)Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O |r| Show InChI InChI=1S/C20H28N4O4/c25-18-8-4-1-5-15(18)21-19(26)24-17-7-3-2-6-16(17)23(20(24)27)10-9-22-11-13-28-14-12-22/h2-3,6-7,15,18,25H,1,4-5,8-14H2,(H,21,26)/t15-,18-/m0/s1 | PDB
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PubMed
| 484 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260709
(CHEMBL496497 | N-((S)-1-amino-3,3-dimethyl-1-oxobu...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2CCCO2)c1=O)C(N)=O |r| Show InChI InChI=1S/C19H26N4O4/c1-19(2,3)15(16(20)24)21-17(25)23-14-9-5-4-8-13(14)22(18(23)26)11-12-7-6-10-27-12/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1 | PDB
NCI pathway
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PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260753
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(3-...)Show SMILES CC(C)(O)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1 | PDB
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| Article
PubMed
| 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50377918
(CHEMBL1162994)Show SMILES CC(C)(C)C(NC(=O)n1c2ccccc2n(CCC2CCOCC2)c1=O)C(N)=O Show InChI InChI=1S/C21H30N4O4/c1-21(2,3)17(18(22)26)23-19(27)25-16-7-5-4-6-15(16)24(20(25)28)11-8-14-9-12-29-13-10-14/h4-7,14,17H,8-13H2,1-3H3,(H2,22,26)(H,23,27) | PDB
NCI pathway
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PubMed
| 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260673
((S)-N-(2,2-dimethyl-1-(2-methyl-2H-tetrazol-5-yl)p...)Show SMILES Cn1nnc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)17(18-23-25-26(4)24-18)22-19(30)29-16-8-6-5-7-15(16)28(20(29)31)10-9-27-11-13-32-14-12-27/h5-8,17H,9-14H2,1-4H3,(H,22,30)/t17-/m1/s1 | PDB
NCI pathway
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| Article
PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50261099
((R)-1-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)Show SMILES O=C(N[C@@H]1CCCc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O |r| Show InChI InChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1 | PDB
NCI pathway
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UniChem
| Article
PubMed
| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50261052
((R)-3-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)Show SMILES O=C(N[C@@H]1CCCc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O |r| Show InChI InChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1 | PDB
NCI pathway
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PubMed
| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260511
(CHEMBL495407 | N-(chroman-4-yl)-3-(2-morpholinoeth...)Show SMILES O=C(NC1CCOc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O Show InChI InChI=1S/C23H26N4O4/c28-22(24-18-9-14-31-21-8-4-1-5-17(18)21)27-20-7-3-2-6-19(20)26(23(27)29)11-10-25-12-15-30-16-13-25/h1-8,18H,9-16H2,(H,24,28) | PDB
NCI pathway
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PC sid
UniChem
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260626
((S)-N'-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)17(18(27)22-4)23-19(28)26-16-8-6-5-7-15(16)25(20(26)29)10-9-24-11-13-30-14-12-24/h5-8,17H,9-14H2,1-4H3,(H,22,27)(H,23,28)/t17-/m1/s1 | PDB
NCI pathway
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UniChem
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| Article
PubMed
| 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260750
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-((4...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2(O)CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H28N4O5/c1-19(2,3)15(16(21)25)22-17(26)24-14-7-5-4-6-13(14)23(18(24)27)12-20(28)8-10-29-11-9-20/h4-7,15,28H,8-12H2,1-3H3,(H2,21,25)(H,22,26)/t15-/m1/s1 | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| 3.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50260628
(CHEMBL495391 | N-((2S,3S)-1-amino-3-methyl-1-oxope...)Show SMILES CC[C@H](C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H29N5O4/c1-3-14(2)17(18(21)26)22-19(27)25-16-7-5-4-6-15(16)24(20(25)28)9-8-23-10-12-29-13-11-23/h4-7,14,17H,3,8-13H2,1-2H3,(H2,21,26)(H,22,27)/t14-,17-/m0/s1 | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| >4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50389606
(CHEMBL2069625)Show InChI InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3 | PDB
MMDB
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PDB
UniChem
| PDB
Article
PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human unphosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mob... |
ACS Med Chem Lett 3: 342-346 (2012)
Article DOI: 10.1021/ml3000403
BindingDB Entry DOI: 10.7270/Q2FN1782 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50327046
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12 Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31) | PDB
MMDB
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Reactome pathway
KEGG
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| PDB
Article
PubMed
| n/a | n/a | 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysis |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50399537
(CHEMBL2180604)Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1 Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31) | PDB
MMDB
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KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0930 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 60 mins by AlphaScreen assay in presence of 1000 uM of ATP |
Bioorg Med Chem 21: 2333-45 (2013)
Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
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CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysis |
Bioorg Med Chem 19: 5342-51 (2011)
Article DOI: 10.1016/j.bmc.2011.08.002
BindingDB Entry DOI: 10.7270/Q21R6QW4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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