BDBM50426339 CHEMBL2321961

SMILES: COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F

InChI Key: InChIKey=KVNYOTGDQLDEBZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50426339   

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
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50426339 (CHEMBL2321961) Show SMILES COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F Show InChI InChI=1S/C19H12F3N3O4/c1-29-18(27)8-5-6-9-12(7-8)23-16(15(9)25-28)13-10-3-2-4-11(19(20,21)22)14(10)24-17(13)26/h2-7,13,23H,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation countin...				ACS Med Chem Lett 4: 22-26 (2013) Article DOI: 10.1021/ml300207a BindingDB Entry DOI: 10.7270/Q2Q81FD1
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50426339 (CHEMBL2321961) Show SMILES COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F Show InChI InChI=1S/C19H12F3N3O4/c1-29-18(27)8-5-6-9-12(7-8)23-16(15(9)25-28)13-10-3-2-4-11(19(20,21)22)14(10)24-17(13)26/h2-7,13,23H,1H3,(H,24,26)	PDB MMDB NCI pathway 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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5				ACS Med Chem Lett 4: 22-26 (2013) Article DOI: 10.1021/ml300207a BindingDB Entry DOI: 10.7270/Q2Q81FD1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Sus scrofa)	BDBM50426339 (CHEMBL2321961) Show SMILES COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F Show InChI InChI=1S/C19H12F3N3O4/c1-29-18(27)8-5-6-9-12(7-8)23-16(15(9)25-28)13-10-3-2-4-11(19(20,21)22)14(10)24-17(13)26/h2-7,13,23H,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate				ACS Med Chem Lett 4: 22-26 (2013) Article DOI: 10.1021/ml300207a BindingDB Entry DOI: 10.7270/Q2Q81FD1
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Sus scrofa)	BDBM50426339 (CHEMBL2321961) Show SMILES COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F Show InChI InChI=1S/C19H12F3N3O4/c1-29-18(27)8-5-6-9-12(7-8)23-16(15(9)25-28)13-10-3-2-4-11(19(20,21)22)14(10)24-17(13)26/h2-7,13,23H,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate				ACS Med Chem Lett 4: 22-26 (2013) Article DOI: 10.1021/ml300207a BindingDB Entry DOI: 10.7270/Q2Q81FD1
					More data for this Ligand-Target Pair