BDBM387849 US10294221, Example 21(a)

SMILES: CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC)c1

InChI Key: InChIKey=TXCAGXFNLXIISD-CZUORRHYSA-N

Data: 1 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 1 hit for monomerid = 387849   

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))	BDBM387849 (US10294221, Example 21(a)) Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC)c1 |r| Show InChI InChI=1S/C19H22N8O3S/c1-29-14-5-3-4-12(8-14)16(30-2)17(28)23-19-26-25-18(31-19)22-13-6-7-27(10-13)15-9-20-11-21-24-15/h3-5,8-9,11,13,16H,6-7,10H2,1-2H3,(H,22,25)(H,23,26,28)/t13-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...				Bioorg Med Chem Lett 18: 1577-82 (2008) BindingDB Entry DOI: 10.7270/Q2MK6G78
					More data for this Ligand-Target Pair