BDBM50208715 CHEMBL3884570

SMILES: COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N

InChI Key: InChIKey=NJETXHOGHMMTEB-KPKJPENVSA-N

Data: 7 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 7 hits for monomerid = 50208715   

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-regulated kinases 1B (Homo sapiens (Human))	BDBM50208715 (CHEMBL3884570) Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50208715 (CHEMBL3884570) Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50208715 (CHEMBL3884570) Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
CDC2-like kinase 3 (CLK3) (Homo sapiens (Human))	BDBM50208715 (CHEMBL3884570) Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+	PDB 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
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50208715 (CHEMBL3884570) Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+	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	180	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50208715 (CHEMBL3884570) Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50208715 (CHEMBL3884570) Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+	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
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair