BDBM50195206 3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)quinolin-2(1H)-one::3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE::CHEMBL221735

SMILES: NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1

InChI Key: InChIKey=KBIHHEGEALBUMT-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195206   

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))	BDBM50195206 (3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...) Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1 Show InChI InChI=1S/C24H26N4O/c25-14-16-7-9-28(10-8-16)15-17-5-6-22-19(11-17)13-23(26-22)20-12-18-3-1-2-4-21(18)27-24(20)29/h1-6,11-13,16,26H,7-10,14-15,25H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CHEK1				Bioorg Med Chem Lett 16: 5907-12 (2006) Article DOI: 10.1016/j.bmcl.2006.08.053 BindingDB Entry DOI: 10.7270/Q27H1J73
					More data for this Ligand-Target Pair				3D Structure (crystal)