BDBM50195476 CHEMBL3938731

SMILES: [H][C@]12OC[C@@H](Oc3nc4nc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3ccc(NS(C)(=O)=O)cc3F)[C@@]1([H])OC[C@H]2O

InChI Key: InChIKey=JOJXRQCHVXAFFE-OHUMZHCVSA-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 = 50195476   

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
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50195476 (CHEMBL3938731) Show SMILES [H][C@]12OC[C@@H](Oc3nc4nc(c(Cl)cc4[nH]3)-c3ccc(cc3)-c3ccc(NS(C)(=O)=O)cc3F)[C@@]1([H])OC[C@H]2O |r| Show InChI InChI=1S/C25H22ClFN4O6S/c1-38(33,34)31-14-6-7-15(17(27)8-14)12-2-4-13(5-3-12)21-16(26)9-18-24(29-21)30-25(28-18)37-20-11-36-22-19(32)10-35-23(20)22/h2-9,19-20,22-23,31-32H,10-11H2,1H3,(H,28,29,30)/t19-,20-,22-,23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of full length human recombinant N-terminal GST-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus infected High Five cells using NH...				Bioorg Med Chem Lett 26: 5139-5148 (2016) Article DOI: 10.1016/j.bmcl.2016.09.065 BindingDB Entry DOI: 10.7270/Q25M67PH
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