BDBM50097875 CHEMBL3589655

SMILES: OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F

InChI Key: InChIKey=NGNLQRJYJYGKEG-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 = 50097875   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50097875 (CHEMBL3589655) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F Show InChI InChI=1S/C17H9F3N2O2/c18-17(19,20)8-5-6-12-10(7-8)13-14(21-12)9-3-1-2-4-11(9)22-15(13)16(23)24/h1-7,21H,(H,23,24)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50097875 (CHEMBL3589655) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F Show InChI InChI=1S/C17H9F3N2O2/c18-17(19,20)8-5-6-12-10(7-8)13-14(21-12)9-3-1-2-4-11(9)22-15(13)16(23)24/h1-7,21H,(H,23,24)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50097875 (CHEMBL3589655) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F Show InChI InChI=1S/C17H9F3N2O2/c18-17(19,20)8-5-6-12-10(7-8)13-14(21-12)9-3-1-2-4-11(9)22-15(13)16(23)24/h1-7,21H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50097875 (CHEMBL3589655) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F Show InChI InChI=1S/C17H9F3N2O2/c18-17(19,20)8-5-6-12-10(7-8)13-14(21-12)9-3-1-2-4-11(9)22-15(13)16(23)24/h1-7,21H,(H,23,24)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair