BDBM15250 7-chloro-3-oxo-11,18-dioxa-2,4,21,23-tetraazatricyclo[17.3.1.0^{5,10}]tricosa-1(22),5(10),6,8,19(23),20-hexaene-20-carbonitrile::CHEMBL374417::macrocyclic inhibitor 5d

SMILES: Clc1ccc2OCCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N

InChI Key: InChIKey=YORQHSLTMRRBGJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 15250   

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))	BDBM15250 (7-chloro-3-oxo-11,18-dioxa-2,4,21,23-tetraazatricy...) Show SMILES Clc1ccc2OCCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N Show InChI InChI=1S/C18H18ClN5O3/c19-12-5-6-15-13(9-12)22-18(25)24-16-11-21-14(10-20)17(23-16)27-8-4-2-1-3-7-26-15/h5-6,9,11H,1-4,7-8H2,(H2,22,23,24,25)	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	28	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)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM15250 (7-chloro-3-oxo-11,18-dioxa-2,4,21,23-tetraazatricy...) Show SMILES Clc1ccc2OCCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N Show InChI InChI=1S/C18H18ClN5O3/c19-12-5-6-15-13(9-12)22-18(25)24-16-11-21-14(10-20)17(23-16)27-8-4-2-1-3-7-26-15/h5-6,9,11H,1-4,7-8H2,(H2,22,23,24,25)	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	28	n/a	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...				J Med Chem 50: 1514-27 (2007) Article DOI: 10.1021/jm061247v BindingDB Entry DOI: 10.7270/Q2P55KQW
					More data for this Ligand-Target Pair				3D Structure (docked)