BDBM91955 Chk1_87

SMILES: COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)NC(CO)c4ccccc4)cc3NC2=O)c1

InChI Key: InChIKey=GCGLWZLCGJIITI-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 = 91955   

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 [2-280] (Homo sapiens (Human))	BDBM91955 (Chk1_87) Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)NC(CO)c4ccccc4)cc3NC2=O)c1 Show InChI InChI=1S/C30H26N4O6/c1-40-28-16-21(9-12-27(28)34(38)39)20-8-10-22-24(15-20)31-23-11-7-18(13-25(23)33-30(22)37)14-29(36)32-26(17-35)19-5-3-2-4-6-19/h2-13,15-16,26,31,35H,14,17H2,1H3,(H,32,36)(H,33,37)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	26.9	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))	BDBM91955 (Chk1_87) Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)NC(CO)c4ccccc4)cc3NC2=O)c1 Show InChI InChI=1S/C30H26N4O6/c1-40-28-16-21(9-12-27(28)34(38)39)20-8-10-22-24(15-20)31-23-11-7-18(13-25(23)33-30(22)37)14-29(36)32-26(17-35)19-5-3-2-4-6-19/h2-13,15-16,26,31,35H,14,17H2,1H3,(H,32,36)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	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)