Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 301.3 BDBM50236544

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50236544 (CHEMBL4096575) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C19H15N3O/c20-15-5-1-12(2-6-15)14-9-17-18(11-22-19(17)21-10-14)13-3-7-16(23)8-4-13/h1-11,23H,20H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50236544 (CHEMBL4096575) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C19H15N3O/c20-15-5-1-12(2-6-15)14-9-17-18(11-22-19(17)21-10-14)13-3-7-16(23)8-4-13/h1-11,23H,20H2,(H,21,22)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50236544 (CHEMBL4096575) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C19H15N3O/c20-15-5-1-12(2-6-15)14-9-17-18(11-22-19(17)21-10-14)13-3-7-16(23)8-4-13/h1-11,23H,20H2,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	567	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DYRK2 (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50236544 (CHEMBL4096575) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C19H15N3O/c20-15-5-1-12(2-6-15)14-9-17-18(11-22-19(17)21-10-14)13-3-7-16(23)8-4-13/h1-11,23H,20H2,(H,21,22)	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	711	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50236544 (CHEMBL4096575) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C19H15N3O/c20-15-5-1-12(2-6-15)14-9-17-18(11-22-19(17)21-10-14)13-3-7-16(23)8-4-13/h1-11,23H,20H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin) using KKGRSRSRSRSRSR as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair