BDBM50394684 CHEMBL2165615

SMILES: CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1

InChI Key: InChIKey=MASKQITXHVYVFL-UHFFFAOYSA-N

Data: 5 EC50

PDB links: 2 PDB IDs match 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 5 hits for monomerid = 50394684   

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))	BDBM50394684 (CHEMBL2165615) Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of human recombinant glucokinase by matrix assay in presence of glucose				Bioorg Med Chem Lett 23: 4571-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.036 BindingDB Entry DOI: 10.7270/Q24B32QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50394684 (CHEMBL2165615) Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	188	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis				J Med Chem 55: 1318-33 (2012) Article DOI: 10.1021/jm2014887 BindingDB Entry DOI: 10.7270/Q2NG4RRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50394684 (CHEMBL2165615) Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Activation of recombinant human liver glucokinase 2 assessed as assessed as reduction in Km for glucose in presence of 5 mM glucose by G6PDH coupled ...				Eur J Med Chem 139: 128-152 (2017) Article DOI: 10.1016/j.ejmech.2017.07.051 BindingDB Entry DOI: 10.7270/Q23F4S8N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50394684 (CHEMBL2165615) Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	930	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Activation of recombinant human liver glucokinase 2 assessed as reduction in NADH production in presence of 5 mM glucose by G6PDH coupled assay				Eur J Med Chem 139: 128-152 (2017) Article DOI: 10.1016/j.ejmech.2017.07.051 BindingDB Entry DOI: 10.7270/Q23F4S8N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase type IV (Rattus norvegicus)	BDBM50394684 (CHEMBL2165615) Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...				J Med Chem 55: 1318-33 (2012) Article DOI: 10.1021/jm2014887 BindingDB Entry DOI: 10.7270/Q2NG4RRT
					More data for this Ligand-Target Pair				3D Structure (crystal)