BDBM50369721 CHEMBL3702836
SMILES: CN(C1COC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
InChI Key: InChIKey=YELZMARZEBVKBL-VAZXNAHHSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50369721 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 |
|---|
Ribosomal protein S6 kinase alpha-1/alpha-3
(Homo sapiens (Human)) | BDBM50369721
(CHEMBL3702836)Show SMILES CN(C1COC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/b21-15+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a |
Shaanxi University of Science & Technology
Curated by ChEMBL
| Assay Description
Binding affinity to RPS6KA3 (unknown origin) |
Eur J Med Chem 151: 315-326 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50369721
(CHEMBL3702836)Show SMILES CN(C1COC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/b21-15+/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shaanxi University of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Eur J Med Chem 151: 315-326 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0 |
More data for this
Ligand-Target Pair | |
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