BDBM50220957 1-[(3R,3aR)-3-(3-dimethylamino-propyl)-8-methyl-3-phenyl-3a,4-dihydro-3H-5-oxa-1,9b-diaza-cyclopenta[a]naphthalen-2-yl]-ethanone::CHEMBL250532
SMILES: CN(C)CCC[C@]1([C@@H]2COc3ccc(C)cc3N2N=C1C(C)=O)c1ccccc1
InChI Key: InChIKey=HSZKJVJUUUIVFL-LADGPHEKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50220957 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 |
Kinesin-like protein 1
(Homo sapiens (Human)) | BDBM50220957
(1-[(3R,3aR)-3-(3-dimethylamino-propyl)-8-methyl-3-...)Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(C)cc3N2N=C1C(C)=O)c1ccccc1 |c:20| Show InChI InChI=1S/C24H29N3O2/c1-17-11-12-21-20(15-17)27-22(16-29-21)24(13-8-14-26(3)4,23(25-27)18(2)28)19-9-6-5-7-10-19/h5-7,9-12,15,22H,8,13-14,16H2,1-4H3/t22-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of kinesin spindle protein |
Bioorg Med Chem Lett 17: 5671-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50220957
(1-[(3R,3aR)-3-(3-dimethylamino-propyl)-8-methyl-3-...)Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(C)cc3N2N=C1C(C)=O)c1ccccc1 |c:20| Show InChI InChI=1S/C24H29N3O2/c1-17-11-12-21-20(15-17)27-22(16-29-21)24(13-8-14-26(3)4,23(25-27)18(2)28)19-9-6-5-7-10-19/h5-7,9-12,15,22H,8,13-14,16H2,1-4H3/t22-,24+/m0/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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hERG expressed in HEK cells |
Bioorg Med Chem Lett 17: 5671-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N |
More data for this Ligand-Target Pair | |