BDBM50426335 CHEMBL2321878

SMILES: OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1

InChI Key: InChIKey=UNCYMSKRQGJFEU-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 = 50426335   

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)	BDBM50426335 (CHEMBL2321878) Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1 Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)10-3-1-2-8-12(16(25)23-13(8)10)15-14(24-28)9-6-7(17(26)27)4-5-11(9)22-15/h1-6,12,22H,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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))	BDBM50426335 (CHEMBL2321878) Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1 Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)10-3-1-2-8-12(16(25)23-13(8)10)15-14(24-28)9-6-7(17(26)27)4-5-11(9)22-15/h1-6,12,22H,(H,23,25)(H,26,27)	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	1.60E+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)	BDBM50426335 (CHEMBL2321878) Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1 Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)10-3-1-2-8-12(16(25)23-13(8)10)15-14(24-28)9-6-7(17(26)27)4-5-11(9)22-15/h1-6,12,22H,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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 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)	BDBM50426335 (CHEMBL2321878) Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1 Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)10-3-1-2-8-12(16(25)23-13(8)10)15-14(24-28)9-6-7(17(26)27)4-5-11(9)22-15/h1-6,12,22H,(H,23,25)(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+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