Found 28 hits for monomerid = 296429 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
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UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01280 BindingDB Entry DOI: 10.7270/Q24X5CPK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 531 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
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UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
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| n/a | n/a | 29.3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 84.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
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UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 15.1 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 34.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10137124 (2018)
BindingDB Entry DOI: 10.7270/Q28S4RZ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 24.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10137124 (2018)
BindingDB Entry DOI: 10.7270/Q28S4RZ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 531 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10137124 (2018)
BindingDB Entry DOI: 10.7270/Q28S4RZ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn... |
US Patent US10555944 (2020)
BindingDB Entry DOI: 10.7270/Q279473N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 24.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn... |
US Patent US10555944 (2020)
BindingDB Entry DOI: 10.7270/Q279473N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,G810R]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 531 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
US Patent
| Assay Description The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays containe... |
US Patent US10555944 (2020)
BindingDB Entry DOI: 10.7270/Q279473N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
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UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Array Biopharma Inc.
US Patent
| Assay Description RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE™-TK assa... |
US Patent US10953005 (2021)
BindingDB Entry DOI: 10.7270/Q2668H9T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 24.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array Biopharma Inc.
US Patent
| Assay Description RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE™-TK assa... |
US Patent US10953005 (2021)
BindingDB Entry DOI: 10.7270/Q2668H9T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Purchase
MCE PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 531 | n/a | n/a | n/a | n/a | n/a | n/a |
Array Biopharma Inc.
US Patent
| Assay Description RET G810R: The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assay... |
US Patent US10953005 (2021)
BindingDB Entry DOI: 10.7270/Q2668H9T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
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| n/a | n/a | 1.98 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
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| n/a | n/a | 5.09 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
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| | n/a | n/a | 2.17 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this Ligand-Target Pair | |
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 2.07 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| | n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| | n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
KEGG
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02167 BindingDB Entry DOI: 10.7270/Q22R3WQ4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02167 BindingDB Entry DOI: 10.7270/Q22R3WQ4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
KEGG
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02167 BindingDB Entry DOI: 10.7270/Q22R3WQ4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02167 BindingDB Entry DOI: 10.7270/Q22R3WQ4 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]
(Homo sapiens (Human)) | BDBM296429
(US10112942, Example 163 | US10112942, Example 166 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3 | PDB
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| n/a | n/a | 24.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |