BDBM50447286 CHEMBL3113992

SMILES: OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FTXKDYBMOPKENQ-UHFFFAOYSA-N

Data: 2 IC50  1 Kd  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 6 hits for monomerid = 50447286   

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))	BDBM50447286 (CHEMBL3113992) Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2	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	>1.25E+4	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/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50447286 (CHEMBL3113992) Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2	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	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...				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))	BDBM50447286 (CHEMBL3113992) Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2	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	1.42E+3	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 regulatory protein (Homo sapiens (Human))	BDBM50447286 (CHEMBL3113992) Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2	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	n/a	240	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Binding affinity to GKRP (unknown origin) by surface plasmon resonance analysis				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 regulatory protein (Rattus norvegicus)	BDBM50447286 (CHEMBL3113992) Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2	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	3.64E+3	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)
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50447286 (CHEMBL3113992) Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2	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