BDBM24103 1,4-diaryl-4,5-dihydropyrazole, 25::1-[(4R)-4-[3-(dimethylamino)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]ethan-1-one
SMILES: CN(C)CCC[C@]1(CN(N=C1C(C)=O)c1cc(C)ccc1F)c1ccccc1
InChI Key: InChIKey=FTEPMVFWUZEGMB-QHCPKHFHSA-N
Data: 2 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM24103 (1,4-diaryl-4,5-dihydropyrazole, 25 | 1-[(4R)-4-[3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Merck Research Laboratories | Assay Description The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably... | Bioorg Med Chem Lett 17: 5677-82 (2007) Article DOI: 10.1016/j.bmcl.2007.07.074 BindingDB Entry DOI: 10.7270/Q20C4T36 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human)) | BDBM24103 (1,4-diaryl-4,5-dihydropyrazole, 25 | 1-[(4R)-4-[3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Merck Research Laboratories | Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term... | Bioorg Med Chem Lett 17: 5677-82 (2007) Article DOI: 10.1016/j.bmcl.2007.07.074 BindingDB Entry DOI: 10.7270/Q20C4T36 | |||||||||||
More data for this Ligand-Target Pair |