BDBM25500 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methylpyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide::Dihydropyrimidine, 29
SMILES: CC1=C(C(NC(=N1)c1ccnc(C)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F
InChI Key: InChIKey=JPOJPLNOODEZLH-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rho-associated protein kinase 1 (Homo sapiens (Human)) | BDBM25500 (4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK | Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc... | J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ | |||||||||||
More data for this Ligand-Target Pair |