BDBM50130674 CHEMBL3634616
SMILES: Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N
InChI Key: InChIKey=ZZVNMBNPUAGWHI-NWDGAFQWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50130674 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 |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130674
![PNG](/data/jpeg/tenK5013/BindingDB_50130674.png) (CHEMBL3634616)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H20N8OS/c1-26-8-14(13(6-19)25-26)23-17(27)10-9-28-18-16(10)24-15(7-21-18)22-12-5-3-2-4-11(12)20/h7-9,11-12H,2-5,20H2,1H3,(H,22,24)(H,23,27)/t11-,12+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 (unknown origin) |
Bioorg Med Chem Lett 25: 5384-8 (2015)
BindingDB Entry DOI: 10.7270/Q2WS8W3R |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130674
![PNG](/data/jpeg/tenK5013/BindingDB_50130674.png) (CHEMBL3634616)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H20N8OS/c1-26-8-14(13(6-19)25-26)23-17(27)10-9-28-18-16(10)24-15(7-21-18)22-12-5-3-2-4-11(12)20/h7-9,11-12H,2-5,20H2,1H3,(H,22,24)(H,23,27)/t11-,12+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC |
Bioorg Med Chem Lett 25: 5384-8 (2015)
BindingDB Entry DOI: 10.7270/Q2WS8W3R |
More data for this Ligand-Target Pair | |