BDBM50525794 CHEMBL4454980

SMILES: CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)CC2CC2)s1

InChI Key: InChIKey=YIGCPWMZLKZHNN-UHFFFAOYSA-N

Data: 2 IC50

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 = 50525794   

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
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50525794 (CHEMBL4454980) Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)CC2CC2)s1 Show InChI InChI=1S/C18H25N7O3S2/c1-10(2)14(27)20-16-21-23-17(29-16)25-7-5-12(6-8-25)28-18-24-22-15(30-18)19-13(26)9-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,19,22,26)(H,20,21,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126632
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50525794 (CHEMBL4454980) Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)CC2CC2)s1 Show InChI InChI=1S/C18H25N7O3S2/c1-10(2)14(27)20-16-21-23-17(29-16)25-7-5-12(6-8-25)28-18-24-22-15(30-18)19-13(26)9-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,19,22,26)(H,20,21,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126632
					More data for this Ligand-Target Pair