BDBM24057 3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one::CHEMBL203045::dihydropyrrole, 16
SMILES: [H][C@]1(C=C(CN1C(=O)C(C)(C)CN)c1cc(F)ccc1F)c1ccccc1
InChI Key: InChIKey=ZPUWHZPEHISDSA-IBGZPJMESA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human)) | BDBM24057 (3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.20 | 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 16: 1775-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.030 BindingDB Entry DOI: 10.7270/Q27W69HG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM24057 (3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,...) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of KSP | Bioorg Med Chem Lett 17: 722-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.083 BindingDB Entry DOI: 10.7270/Q2HT2Q4S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM24057 (3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,...) | 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 | 2.20E+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 16: 1775-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.030 BindingDB Entry DOI: 10.7270/Q27W69HG | |||||||||||
More data for this Ligand-Target Pair |