BDBM91842 Chk1_117

SMILES: COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O

InChI Key: InChIKey=OVISARFWMBEMGJ-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 = 91842   

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))	BDBM91842 (Chk1_117) Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O Show InChI InChI=1S/C24H21N3O6/c1-13-8-17-19(12-16(13)15-5-7-21(27(30)31)22(11-15)32-2)25-18-6-4-14(10-23(28)33-3)9-20(18)26-24(17)29/h4-9,11-12,25H,10H2,1-3H3,(H,26,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	49.4	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))	BDBM91842 (Chk1_117) Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O Show InChI InChI=1S/C24H21N3O6/c1-13-8-17-19(12-16(13)15-5-7-21(27(30)31)22(11-15)32-2)25-18-6-4-14(10-23(28)33-3)9-20(18)26-24(17)29/h4-9,11-12,25H,10H2,1-3H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	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