BDBM50401620 CHEMBL2204587

SMILES: CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F

InChI Key: InChIKey=WQYWYUZPLMKVID-SNVBAGLBSA-N

Data: 3 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 3 hits for monomerid = 50401620   

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))	BDBM50401620 (CHEMBL2204587) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H20F3N7O/c1-10(9-27(3)4)28-16-13(6-21)23-8-15(26-16)25-14-5-12(22-2)11(7-24-14)17(18,19)20/h5,7-8,10H,9H2,1-4H3,(H2,22,24,25,26)/t10-/m1/s1	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50401620 (CHEMBL2204587) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H20F3N7O/c1-10(9-27(3)4)28-16-13(6-21)23-8-15(26-16)25-14-5-12(22-2)11(7-24-14)17(18,19)20/h5,7-8,10H,9H2,1-4H3,(H2,22,24,25,26)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ERG overexpressed in HEK cells				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401620 (CHEMBL2204587) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H20F3N7O/c1-10(9-27(3)4)28-16-13(6-21)23-8-15(26-16)25-14-5-12(22-2)11(7-24-14)17(18,19)20/h5,7-8,10H,9H2,1-4H3,(H2,22,24,25,26)/t10-/m1/s1	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as etoposide-induced G2 check point arrest after 21 hrs by ELISA				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair