BDBM108802 US8604016, 382::US9938267, Cmpd ID 382

SMILES: CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1

InChI Key: InChIKey=XJJHPWWXXUJROI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 108802   

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))	BDBM108802 (US8604016, 382 | US9938267, Cmpd ID 382) Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-27(39)33-29-37-36-28(42-29)14-7-6-13-24-15-16-25(35-34-24)32-26(38)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Calithera Biosciences Inc. US Patent					Assay Description Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...				US Patent US8604016 (2013) BindingDB Entry DOI: 10.7270/Q2CC0ZBW
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108802 (US8604016, 382 | US9938267, Cmpd ID 382) Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-27(39)33-29-37-36-28(42-29)14-7-6-13-24-15-16-25(35-34-24)32-26(38)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...				J Med Chem 51: 1681-94 (2008) BindingDB Entry DOI: 10.7270/Q2JS9SQV
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108802 (US8604016, 382 | US9938267, Cmpd ID 382) Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-27(39)33-29-37-36-28(42-29)14-7-6-13-24-15-16-25(35-34-24)32-26(38)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description No preinc (Column 4).				J Med Chem 51: 1681-94 (2008) BindingDB Entry DOI: 10.7270/Q2JS9SQV
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108802 (US8604016, 382 | US9938267, Cmpd ID 382) Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-27(39)33-29-37-36-28(42-29)14-7-6-13-24-15-16-25(35-34-24)32-26(38)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Calithera Biosciences Inc. US Patent					Assay Description Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...				US Patent US8604016 (2013) BindingDB Entry DOI: 10.7270/Q2CC0ZBW
					More data for this Ligand-Target Pair