BDBM50091283 CHEMBL3582232

SMILES: C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncnc1

InChI Key: InChIKey=CJPWVSWHUPXWHU-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50091283   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50091283 (CHEMBL3582232) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncnc1 Show InChI InChI=1S/C26H24N6/c1-2-8-32(9-3-1)16-18-4-6-19(7-5-18)20-10-23-22-11-24(21-12-27-17-28-13-21)29-15-25(22)31-26(23)30-14-20/h4-7,10-15,17H,1-3,8-9,16H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence 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))	BDBM50091283 (CHEMBL3582232) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncnc1 Show InChI InChI=1S/C26H24N6/c1-2-8-32(9-3-1)16-18-4-6-19(7-5-18)20-10-23-22-11-24(21-12-27-17-28-13-21)29-15-25(22)31-26(23)30-14-20/h4-7,10-15,17H,1-3,8-9,16H2,(H,30,31)	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	163	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))	BDBM50091283 (CHEMBL3582232) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncnc1 Show InChI InChI=1S/C26H24N6/c1-2-8-32(9-3-1)16-18-4-6-19(7-5-18)20-10-23-22-11-24(21-12-27-17-28-13-21)29-15-25(22)31-26(23)30-14-20/h4-7,10-15,17H,1-3,8-9,16H2,(H,30,31)	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	5.10	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