BDBM50384157 CHEMBL2029739
SMILES: CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1
InChI Key: InChIKey=GUNCOSCOXDDNME-LJQANCHMSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50384157 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 |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50384157
(CHEMBL2029739)Show SMILES CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 70.6 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding |
Bioorg Med Chem Lett 22: 3884-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384157
(CHEMBL2029739)Show SMILES CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1 | 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 | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3884-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV |
More data for this Ligand-Target Pair | |