BDBM50009094 CHEMBL3237993

SMILES: CNS(=O)(=O)c1ccc(cc1)N1CCN(C[C@@H]1C#CC)S(=O)(=O)c1ccc(N)nc1

InChI Key: InChIKey=AZCZVIWSFGSHOZ-INIZCTEOSA-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 = 50009094   

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)	BDBM50009094 (CHEMBL3237993) Show SMILES CNS(=O)(=O)c1ccc(cc1)N1CCN(C[C@@H]1C#CC)S(=O)(=O)c1ccc(N)nc1 |r| Show InChI InChI=1S/C19H23N5O4S2/c1-3-4-16-14-23(30(27,28)18-9-10-19(20)22-13-18)11-12-24(16)15-5-7-17(8-6-15)29(25,26)21-2/h5-10,13,16,21H,11-12,14H2,1-2H3,(H2,20,22)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	97	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))	BDBM50009094 (CHEMBL3237993) Show SMILES CNS(=O)(=O)c1ccc(cc1)N1CCN(C[C@@H]1C#CC)S(=O)(=O)c1ccc(N)nc1 |r| Show InChI InChI=1S/C19H23N5O4S2/c1-3-4-16-14-23(30(27,28)18-9-10-19(20)22-13-18)11-12-24(16)15-5-7-17(8-6-15)29(25,26)21-2/h5-10,13,16,21H,11-12,14H2,1-2H3,(H2,20,22)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	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)