BDBM50172181 CHEMBL3810394::US10040788, Example 3::US10294221, Example 3

SMILES: CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1

InChI Key: InChIKey=UARUDZDSUPDKKH-HIFRSBDPSA-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 = 50172181   

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))	BDBM50172181 (CHEMBL3810394 | US10040788, Example 3 | US10294221...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of 6His-tagged GLS1 (63-669 residues) (unknown origin) expressed in Escherichia coli using glutamine as substrate after 15 mins by Glutama...				ACS Med Chem Lett 7: 207-8 (2016) BindingDB Entry DOI: 10.7270/Q2GX4DG1
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50172181 (CHEMBL3810394 | US10040788, Example 3 | US10294221...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	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
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50172181 (CHEMBL3810394 | US10040788, Example 3 | US10294221...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.8	n/a
AstraZeneca AB; Cancer Research Technology Limited US Patent					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...				US Patent US10040788 (2018) BindingDB Entry DOI: 10.7270/Q2Z321PG
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50172181 (CHEMBL3810394 | US10040788, Example 3 | US10294221...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay				ACS Med Chem Lett 7: 207-8 (2016) BindingDB Entry DOI: 10.7270/Q2GX4DG1
					More data for this Ligand-Target Pair