BDBM50221570 4-[7-methoxy-6-(3-morpholin-4-yl-propoxy)-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl]-benzonitrile::CHEMBL400689

SMILES: COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCCCN1CCOCC1

InChI Key: InChIKey=VSCASMLRSQQEQP-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 = 50221570   

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))	BDBM50221570 (4-[7-methoxy-6-(3-morpholin-4-yl-propoxy)-2,4-dihy...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C25H26N4O3/c1-30-22-15-20-19(14-23(22)32-10-2-7-29-8-11-31-12-9-29)13-21-24(27-28-25(20)21)18-5-3-17(16-26)4-6-18/h3-6,14-15H,2,7-13H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (crystal)