BDBM50181141 (S)-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)-2-hydroxyethanone::CHEMBL377596
SMILES: O[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F
InChI Key: InChIKey=OLHRLKFUMOQGCV-PMACEKPBSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50181141 ((S)-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of KSP by ATPase assay | Bioorg Med Chem Lett 16: 1780-3 (2006) Article DOI: 10.1016/j.bmcl.2005.12.094 BindingDB Entry DOI: 10.7270/Q2PZ58D2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50181141 ((S)-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against human hERG receptor expreesed in HEK cells | Bioorg Med Chem Lett 16: 1780-3 (2006) Article DOI: 10.1016/j.bmcl.2005.12.094 BindingDB Entry DOI: 10.7270/Q2PZ58D2 | |||||||||||
More data for this Ligand-Target Pair |