BDBM50525792 CHEMBL4588969

SMILES: O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)C2CCC2)s1

InChI Key: InChIKey=POYMDTMNVVIZQZ-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 = 50525792   

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))	BDBM50525792 (CHEMBL4588969) Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)C2CCC2)s1 Show InChI InChI=1S/C19H25N7O3S2/c27-14(10-11-4-5-11)20-16-22-24-18(30-16)26-8-6-13(7-9-26)29-19-25-23-17(31-19)21-15(28)12-2-1-3-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	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))	BDBM50525792 (CHEMBL4588969) Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)C2CCC2)s1 Show InChI InChI=1S/C19H25N7O3S2/c27-14(10-11-4-5-11)20-16-22-24-18(30-16)26-8-6-13(7-9-26)29-19-25-23-17(31-19)21-15(28)12-2-1-3-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	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