BDBM50377149 CHEMBL257805
SMILES: O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1
InChI Key: InChIKey=RJBNLDIMJDGXNV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50377149 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 |
|---|
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50377149
(CHEMBL257805)Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H20N6O2S2/c28-31(29,27-11-9-22-10-12-27)17-4-1-15(2-5-17)18-7-8-23-21(26-18)25-16-3-6-19-20(13-16)30-14-24-19/h1-8,13-14,22H,9-12H2,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of IKK1 |
Bioorg Med Chem Lett 18: 3622-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.062
BindingDB Entry DOI: 10.7270/Q2P55PD3 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50377149
(CHEMBL257805)Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H20N6O2S2/c28-31(29,27-11-9-22-10-12-27)17-4-1-15(2-5-17)18-7-8-23-21(26-18)25-16-3-6-19-20(13-16)30-14-24-19/h1-8,13-14,22H,9-12H2,(H,23,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of IKK2 |
Bioorg Med Chem Lett 18: 3622-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.062
BindingDB Entry DOI: 10.7270/Q2P55PD3 |
More data for this
Ligand-Target Pair | |
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