BDBM50009115 CHEMBL3237980

SMILES: CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1

InChI Key: InChIKey=HZYIALCWDCIMRP-FXAWDEMLSA-N

Data: 1 IC50  1 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 = 50009115   

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 regulatory protein (Mus musculus)	BDBM50009115 (CHEMBL3237980) Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r| Show InChI InChI=1S/C21H23F3N4O4S/c1-2-3-17-13-27(33(31,32)18-8-9-19(25)26-12-18)10-11-28(17)16-6-4-15(5-7-16)20(30,14-29)21(22,23)24/h4-9,12,17,29-30H,10-11,13-14H2,1H3,(H2,25,26)/t17-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	98	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of GKRP-GK interaction in mouse hepatocytes assessed as induction of GK translocation from nucleus to cytoplasm incubated for 20 mins prio...				J Med Chem 57: 3094-116 (2014) Article DOI: 10.1021/jm5000497 BindingDB Entry DOI: 10.7270/Q2V126BF
					More data for this Ligand-Target Pair
Glucokinase regulatory protein (Homo sapiens (Human))	BDBM50009115 (CHEMBL3237980) Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r| Show InChI InChI=1S/C21H23F3N4O4S/c1-2-3-17-13-27(33(31,32)18-8-9-19(25)26-12-18)10-11-28(17)16-6-4-15(5-7-16)20(30,14-29)21(22,23)24/h4-9,12,17,29-30H,10-11,13-14H2,1H3,(H2,25,26)/t17-,20+/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	28	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 GK interaction preincubated for 20 mins prior to GK addition measured after 2 to 4 hrs by A...				J Med Chem 57: 3094-116 (2014) Article DOI: 10.1021/jm5000497 BindingDB Entry DOI: 10.7270/Q2V126BF
					More data for this Ligand-Target Pair				3D Structure (crystal)