BDBM50274709 CHEMBL458787::N-(1-(3-amino-3-oxopropyl)-5-(N-ethylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-4-cyanobenzamide
SMILES: CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
InChI Key: InChIKey=KCRBCTHTKFTEOA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50274709 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)) | BDBM50274709
(CHEMBL458787 | N-(1-(3-amino-3-oxopropyl)-5-(N-eth...)Show SMILES CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C27H30N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h8-13,16,20H,2-7,14-15H2,1H3,(H2,29,34)(H,30,31,35) | 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 | 7 | 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 Lyn
(Homo sapiens (Human)) | BDBM50274709
(CHEMBL458787 | N-(1-(3-amino-3-oxopropyl)-5-(N-eth...)Show SMILES CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C27H30N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h8-13,16,20H,2-7,14-15H2,1H3,(H2,29,34)(H,30,31,35) | 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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description Inhibition of Lyn kinase |
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 | |