BDBM50224903 CHEMBL248951::N-(7-chloro-18-cyano-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,17,19-hexaen-8-yl)-isonicotinamide

SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NC(=O)c1ccncc1)n3

InChI Key: InChIKey=PHFAZVKMTANTJS-UHFFFAOYSA-N

Data: 1 IC50

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 = 50224903   

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))	BDBM50224903 (CHEMBL248951 | N-(7-chloro-18-cyano-3-oxo-11,16-di...) Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NC(=O)c1ccncc1)n3 Show InChI InChI=1S/C22H18ClN7O4/c23-14-9-16-18(10-15(14)27-20(31)13-3-5-25-6-4-13)33-7-1-2-8-34-21-17(11-24)26-12-19(29-21)30-22(32)28-16/h3-6,9-10,12H,1-2,7-8H2,(H,27,31)(H2,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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: 6593-601 (2007) Article DOI: 10.1016/j.bmcl.2007.09.063 BindingDB Entry DOI: 10.7270/Q2X067WT
					More data for this Ligand-Target Pair				3D Structure (docked)