BDBM50089142 CHEMBL3577718

SMILES: COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCSC1CCCC1

InChI Key: InChIKey=DQZJMNQOUVFLJT-KRWDZBQOSA-N

Data: 1 EC50

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 1 hit for monomerid = 50089142   

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))	BDBM50089142 (CHEMBL3577718) Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCSC1CCCC1 |r| Show InChI InChI=1S/C23H29N3O3S/c1-17(16-28-3)29-20-14-18(7-6-12-30-21-8-4-5-9-21)13-19(15-20)23(27)24-22-10-11-26(2)25-22/h10-11,13-15,17,21H,4-5,8-9,12,16H2,1-3H3,(H,24,25,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Yuhan Research Institute Curated by ChEMBL					Assay Description Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay				ACS Med Chem Lett 6: 296-301 (2015) Article DOI: 10.1021/ml5004712 BindingDB Entry DOI: 10.7270/Q2ZP47VT
					More data for this Ligand-Target Pair