BDBM91831 Chk1_105

SMILES: COc1cc(NC(=O)CCCCCCC(O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=UEAIUULVVHEGBR-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 = 91831   

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))	BDBM91831 (Chk1_105) Show SMILES COc1cc(NC(=O)CCCCCCC(O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C21H23ClN6O5/c1-33-17-9-15(26-19(29)6-4-2-3-5-7-20(30)31)14(22)8-16(17)27-21(32)28-18-12-24-13(10-23)11-25-18/h8-9,11-12H,2-7H2,1H3,(H,26,29)(H,30,31)(H2,25,27,28,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	57.9	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))	BDBM91831 (Chk1_105) Show SMILES COc1cc(NC(=O)CCCCCCC(O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C21H23ClN6O5/c1-33-17-9-15(26-19(29)6-4-2-3-5-7-20(30)31)14(22)8-16(17)27-21(32)28-18-12-24-13(10-23)11-25-18/h8-9,11-12H,2-7H2,1H3,(H,26,29)(H,30,31)(H2,25,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	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