BDBM91845 Chk1_120

SMILES: COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N4CCOCC4)cc3NC2=O)c1

InChI Key: InChIKey=OGFIMQHALSHRMY-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 91845   

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
CHK1_Kinase (Homo sapiens (Human))	BDBM91845 (Chk1_120) Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N4CCOCC4)cc3NC2=O)c1 Show InChI InChI=1S/C26H24N4O6/c1-35-24-15-18(4-7-23(24)30(33)34)17-3-5-19-21(14-17)27-20-6-2-16(12-22(20)28-26(19)32)13-25(31)29-8-10-36-11-9-29/h2-7,12,14-15,27H,8-11,13H2,1H3,(H,28,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	5.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description 33P-Radiometric_Method1				D3R 221: (2015) BindingDB Entry DOI: 10.7270/Q2WS8S4Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91845 (Chk1_120) Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N4CCOCC4)cc3NC2=O)c1 Show InChI InChI=1S/C26H24N4O6/c1-35-24-15-18(4-7-23(24)30(33)34)17-3-5-19-21(14-17)27-20-6-2-16(12-22(20)28-26(19)32)13-25(31)29-8-10-36-11-9-29/h2-7,12,14-15,27H,8-11,13H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CSAR					Assay Description Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (docked)