BDBM50352077 CHEMBL1824041
SMILES: O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1
InChI Key: InChIKey=ILRMRAZASPTXGW-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50352077 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352077
(CHEMBL1824041)Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1 Show InChI InChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of human ERG by ionworks HT assay |
J Med Chem 54: 7834-47 (2011)
Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352077
(CHEMBL1824041)Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1 Show InChI InChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126 BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this Ligand-Target Pair | |