BDBM50538092 CHEMBL4648047

SMILES: O=C(Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12)C1CC1

InChI Key: InChIKey=QVIIMXQIBJRPFS-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 = 50538092   

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))	BDBM50538092 (CHEMBL4648047) Show SMILES O=C(Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12)C1CC1 Show InChI InChI=1S/C22H18N4O/c27-22(15-6-7-15)25-21-12-16(8-11-24-21)19-14-26(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-15H,6-7H2,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50538092 (CHEMBL4648047) Show SMILES O=C(Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12)C1CC1 Show InChI InChI=1S/C22H18N4O/c27-22(15-6-7-15)25-21-12-16(8-11-24-21)19-14-26(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-15H,6-7H2,(H,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method				J Med Chem 63: 2958-2973 (2020)
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538092 (CHEMBL4648047) Show SMILES O=C(Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12)C1CC1 Show InChI InChI=1S/C22H18N4O/c27-22(15-6-7-15)25-21-12-16(8-11-24-21)19-14-26(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-15H,6-7H2,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human His/GST-tagged GSK3beta (2 to 433 residues) expressed in baculovirus infected Sf9 cells using Ulight-glycogen synthas...				J Med Chem 63: 2958-2973 (2020)
					More data for this Ligand-Target Pair