Found 4 hits for monomerid = 50274471 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 |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274471
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description Inhibition of recombinant ITK (unknown origin) by DELFIA assay |
Bioorg Med Chem Lett 18: 5537-40 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274471
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015 BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274471
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description Inhibition of recombinant ITK (unknown origin) by DELFIA assay |
Bioorg Med Chem Lett 18: 5537-40 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274471
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015 BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this Ligand-Target Pair | |