BDBM50091308 CHEMBL3582217

SMILES: C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnccc3c2c1

InChI Key: InChIKey=AGJHYDCWZUUFAE-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50091308   

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 (Homo sapiens (Human))	BDBM50091308 (CHEMBL3582217) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnccc3c2c1 Show InChI InChI=1S/C22H22N4/c1-2-10-26(11-3-1)15-16-4-6-17(7-5-16)18-12-20-19-8-9-23-14-21(19)25-22(20)24-13-18/h4-9,12-14H,1-3,10-11,15H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of CHK1 in human HT29 cells assessed as phosphorylation of histone H3 after 24 hrs by checkpoint abrogation cellular assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091308 (CHEMBL3582217) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnccc3c2c1 Show InChI InChI=1S/C22H22N4/c1-2-10-26(11-3-1)15-16-4-6-17(7-5-16)18-12-20-19-8-9-23-14-21(19)25-22(20)24-13-18/h4-9,12-14H,1-3,10-11,15H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair