BDBM12122 3-(Indol-2-yl)indazole 12::4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine

SMILES: Cn1cc(cn1)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1

InChI Key: InChIKey=WQNGLHBPLCVZOW-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12122   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM12122 (3-(Indol-2-yl)indazole 12 | 4-({2-[6-(1-methyl-1H-...) Show SMILES Cn1cc(cn1)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C24H24N6O/c1-29-15-19(13-25-29)17-3-4-20-22(11-17)27-28-24(20)23-12-18-10-16(2-5-21(18)26-23)14-30-6-8-31-9-7-30/h2-5,10-13,15,26H,6-9,14H2,1H3,(H,27,28)	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	530	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)