BDBM50447292 CHEMBL3113979

SMILES: C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccs1

InChI Key: InChIKey=OJTJLEFGCNYTBQ-RBDMOPTHSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 50447292   

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 (Mus musculus (Mouse))	BDBM50447292 (CHEMBL3113979) Show SMILES C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...				J Med Chem 57: 325-38 (2014) Article DOI: 10.1021/jm4016747 BindingDB Entry DOI: 10.7270/Q2Q241Q5
					More data for this Ligand-Target Pair
Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50447292 (CHEMBL3113979) Show SMILES C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of biotin-tagged human GKRP-fluorescein-tagged human GK interaction preincubated for 20 mins followed by fluorescein-tagged human GK addit...				J Med Chem 57: 309-24 (2014) Article DOI: 10.1021/jm4016735 BindingDB Entry DOI: 10.7270/Q2KW5HJ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50447292 (CHEMBL3113979) Show SMILES C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Activation of human glucokinase				J Med Chem 57: 309-24 (2014) Article DOI: 10.1021/jm4016735 BindingDB Entry DOI: 10.7270/Q2KW5HJ4
					More data for this Ligand-Target Pair
Glucokinase regulatory protein (Rattus norvegicus)	BDBM50447292 (CHEMBL3113979) Show SMILES C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of GKRP-GK interaction in rat primary hepatocytes assessed as translocation of GK from nucleus to cytoplasm preincubated for 20 mins follo...				J Med Chem 57: 309-24 (2014) Article DOI: 10.1021/jm4016735 BindingDB Entry DOI: 10.7270/Q2KW5HJ4
					More data for this Ligand-Target Pair				3D Structure (crystal)