BDBM50347785 CHEMBL1802390

SMILES: CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12

InChI Key: InChIKey=OLFHWLBNRYMRHP-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 = 50347785   

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))	BDBM50347785 (CHEMBL1802390) Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-14-5-2-12(3-6-14)16-9-24-20(22)26-19(16)17-10-23-18-8-13(21)4-7-15(17)18/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	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))	BDBM50347785 (CHEMBL1802390) Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-14-5-2-12(3-6-14)16-9-24-20(22)26-19(16)17-10-23-18-8-13(21)4-7-15(17)18/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)	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)	BDBM50347785 (CHEMBL1802390) Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-14-5-2-12(3-6-14)16-9-24-20(22)26-19(16)17-10-23-18-8-13(21)4-7-15(17)18/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	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