BDBM91911 Chk1_45

SMILES: COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1

InChI Key: InChIKey=BFPAEZRTHKREBG-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 = 91911   

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))	BDBM91911 (Chk1_45) Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1 Show InChI InChI=1S/C26H25N3O5/c1-34-24-13-16(6-9-23(24)31)15-4-7-19-21(11-15)27-20-8-5-17(12-22(20)28-25(19)32)26(33)29-10-2-3-18(29)14-30/h4-9,11-13,18,27,30-31H,2-3,10,14H2,1H3,(H,28,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	37.8	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))	BDBM91911 (Chk1_45) Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1 Show InChI InChI=1S/C26H25N3O5/c1-34-24-13-16(6-9-23(24)31)15-4-7-19-21(11-15)27-20-8-5-17(12-22(20)28-25(19)32)26(33)29-10-2-3-18(29)14-30/h4-9,11-13,18,27,30-31H,2-3,10,14H2,1H3,(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	38	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