BDBM50130670 CHEMBL3634615
SMILES: Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N
InChI Key: InChIKey=MOYYGXHNCQHYEI-UONOGXRCSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50130670 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)) | BDBM50130670
(CHEMBL3634615)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r| Show InChI InChI=1S/C19H22N8O/c1-26-11-16(15(10-20)24-26)23-19(28)17-8-6-12-7-9-18(25-27(12)17)22-14-5-3-2-4-13(14)21/h6-9,11,13-14H,2-5,21H2,1H3,(H,22,25)(H,23,28)/t13-,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | 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)) | BDBM50130670
(CHEMBL3634615)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r| Show InChI InChI=1S/C19H22N8O/c1-26-11-16(15(10-20)24-26)23-19(28)17-8-6-12-7-9-18(25-27(12)17)22-14-5-3-2-4-13(14)21/h6-9,11,13-14H,2-5,21H2,1H3,(H,22,25)(H,23,28)/t13-,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 12 | 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 | |