null
SMILES: CNC1=Nc2cc(sc2N2C(C)C=NC12)-c1cccc(CC(N)=O)c1
InChI Key: InChIKey=KIUDZYXYHCZCAE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50353383 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 beta
(Homo sapiens (Human)) | BDBM50353383
(CHEMBL1831200)Show SMILES CNC1=Nc2cc(sc2N2C(C)C=NC12)-c1cccc(CC(N)=O)c1 |c:13,t:2| Show InChI InChI=1S/C18H19N5OS/c1-10-9-21-17-16(20-2)22-13-8-14(25-18(13)23(10)17)12-5-3-4-11(6-12)7-15(19)24/h3-6,8-10,17H,7H2,1-2H3,(H2,19,24)(H,20,22) | 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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate |
Eur J Med Chem 63: 269-78 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50353383
(CHEMBL1831200)Show SMILES CNC1=Nc2cc(sc2N2C(C)C=NC12)-c1cccc(CC(N)=O)c1 |c:13,t:2| Show InChI InChI=1S/C18H19N5OS/c1-10-9-21-17-16(20-2)22-13-8-14(25-18(13)23(10)17)12-5-3-4-11(6-12)7-15(19)24/h3-6,8-10,17H,7H2,1-2H3,(H2,19,24)(H,20,22) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human IKKbeta using TMB as substrate after 30 mins by spectrophotometry |
Eur J Med Chem 46: 3942-52 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.066 BindingDB Entry DOI: 10.7270/Q2XG9RJH |
More data for this Ligand-Target Pair | |