BDBM50236545 CHEMBL4087125

SMILES: Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1

InChI Key: InChIKey=XVVPNHZWUXCHJE-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50236545   

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-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50236545 (CHEMBL4087125) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-13(6-8-16)18-11-22-20-17(18)9-15(10-21-20)12-1-3-14(4-2-12)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26)	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	86	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 1B (Homo sapiens (Human))	BDBM50236545 (CHEMBL4087125) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-13(6-8-16)18-11-22-20-17(18)9-15(10-21-20)12-1-3-14(4-2-12)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection 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/CLK4 (Homo sapiens (Human))	BDBM50236545 (CHEMBL4087125) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-13(6-8-16)18-11-22-20-17(18)9-15(10-21-20)12-1-3-14(4-2-12)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26)	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	7.00E+4	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection 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 tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50236545 (CHEMBL4087125) Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-13(6-8-16)18-11-22-20-17(18)9-15(10-21-20)12-1-3-14(4-2-12)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26)	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	408	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