BDBM50236541 CHEMBL4067661

SMILES: NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1

InChI Key: InChIKey=JJUHKRNDDMOYGK-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 = 50236541   

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))	BDBM50236541 (CHEMBL4067661) Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H16N4O2/c21-20(26)24-15-5-1-12(2-6-15)14-9-17-18(11-23-19(17)22-10-14)13-3-7-16(25)8-4-13/h1-11,25H,(H,22,23)(H3,21,24,26)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin-dependent kinase 1-cyclin B				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))	BDBM50236541 (CHEMBL4067661) Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H16N4O2/c21-20(26)24-15-5-1-12(2-6-15)14-9-17-18(11-23-19(17)22-10-14)13-3-7-16(25)8-4-13/h1-11,25H,(H,22,23)(H3,21,24,26)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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 protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50236541 (CHEMBL4067661) Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H16N4O2/c21-20(26)24-15-5-1-12(2-6-15)14-9-17-18(11-23-19(17)22-10-14)13-3-7-16(25)8-4-13/h1-11,25H,(H,22,23)(H3,21,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.60E+3	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
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50236541 (CHEMBL4067661) Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H16N4O2/c21-20(26)24-15-5-1-12(2-6-15)14-9-17-18(11-23-19(17)22-10-14)13-3-7-16(25)8-4-13/h1-11,25H,(H,22,23)(H3,21,24,26)	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	476	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