Found 8 hits in this display 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 |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of RET (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of CLK4 (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of Ret V804L (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of IRAK1 (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of Ret V804M (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of CSNK2A1 (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this Ligand-Target Pair | |