BDBM50441152 CHEMBL2430868

SMILES: Cc1csc(Nc2ncccc2OCc2ccccc2)n1

InChI Key: InChIKey=LPJWCRSWBACCSH-UHFFFAOYSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50441152   

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
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50441152 (CHEMBL2430868) Show SMILES Cc1csc(Nc2ncccc2OCc2ccccc2)n1 Show InChI InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Activation of glucokinase (unknown origin)				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50441152 (CHEMBL2430868) Show SMILES Cc1csc(Nc2ncccc2OCc2ccccc2)n1 Show InChI InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins				J Med Chem 56: 7669-78 (2013) Article DOI: 10.1021/jm401116k BindingDB Entry DOI: 10.7270/Q2XP76BH
					More data for this Ligand-Target Pair				3D Structure (crystal)