BDBM50043407 CHEMBL3355476

SMILES: C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12

InChI Key:

Data: 2 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 = 50043407   

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 ATR (Homo sapiens (Human))	BDBM50043407 (CHEMBL3355476) Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50043407 (CHEMBL3355476) Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12 |r| Show InChI	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					More data for this Ligand-Target Pair