BDBM50347812 CHEMBL1802394

SMILES: Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cc(Br)ccc12

InChI Key: InChIKey=GILABDHBGLUSKX-UHFFFAOYSA-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 = 50347812   

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 specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50347812 (CHEMBL1802394) Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C19H12BrF3N4/c20-12-5-6-13-15(9-25-16(13)7-12)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50347812 (CHEMBL1802394) Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C19H12BrF3N4/c20-12-5-6-13-15(9-25-16(13)7-12)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50347812 (CHEMBL1802394) Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C19H12BrF3N4/c20-12-5-6-13-15(9-25-16(13)7-12)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)	PDB UniProtKB/SwissProt 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
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair