BDBM12112 1-[4-({2-[6-(1H-1,2,3,4-tetrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)piperazin-1-yl]ethan-1-one::3-(Indol-2-yl)indazole 2
SMILES: CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)-c2nnn[nH]2)CC1
InChI Key: InChIKey=CRORYKZRUAIGSN-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 |
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Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM12112 (1-[4-({2-[6-(1H-1,2,3,4-tetrazol-5-yl)-1H-indazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Merck Research Laboratories | Assay Description Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3... | Bioorg Med Chem Lett 16: 6049-53 (2006) Article DOI: 10.1016/j.bmcl.2006.08.118 BindingDB Entry DOI: 10.7270/Q29P2ZVV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |