BDBM50418164 CHEMBL1761511
SMILES: NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1
InChI Key: InChIKey=VNEKCIHPKSZINU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50418164 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)) | BDBM50418164
(CHEMBL1761511)Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-11-15(13-4-2-1-3-5-13)10-16-18(12-23-19(16)17)14-6-8-22-9-7-14/h1-5,10-12,14,22-23H,6-9H2,(H2,21,24) | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK-beta |
Bioorg Med Chem Lett 21: 2255-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50418164
(CHEMBL1761511)Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-11-15(13-4-2-1-3-5-13)10-16-18(12-23-19(16)17)14-6-8-22-9-7-14/h1-5,10-12,14,22-23H,6-9H2,(H2,21,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK-alpha |
Bioorg Med Chem Lett 21: 2255-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3 |
More data for this Ligand-Target Pair | |