BDBM50509185 CHEMBL4435743

SMILES: COc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1OC

InChI Key: InChIKey=LEYGTCCNFQCKCN-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 = 50509185   

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))	BDBM50509185 (CHEMBL4435743) Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1OC Show InChI InChI=1S/C30H33N9O4S2/c1-42-23-14-12-21(16-24(23)43-2)18-39-19-22(33-38-39)13-15-25(40)31-29-36-34-27(44-29)10-6-7-11-28-35-37-30(45-28)32-26(41)17-20-8-4-3-5-9-20/h3-5,8-9,12,14,16,19H,6-7,10-11,13,15,17-18H2,1-2H3,(H,31,36,40)(H,32,37,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...				J Med Chem 62: 9642-9657 (2019) Article DOI: 10.1021/acs.jmedchem.9b01035
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50509185 (CHEMBL4435743) Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1OC Show InChI InChI=1S/C30H33N9O4S2/c1-42-23-14-12-21(16-24(23)43-2)18-39-19-22(33-38-39)13-15-25(40)31-29-36-34-27(44-29)10-6-7-11-28-35-37-30(45-28)32-26(41)17-20-8-4-3-5-9-20/h3-5,8-9,12,14,16,19H,6-7,10-11,13,15,17-18H2,1-2H3,(H,31,36,40)(H,32,37,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...				J Med Chem 62: 9642-9657 (2019) Article DOI: 10.1021/acs.jmedchem.9b01035
					More data for this Ligand-Target Pair