BDBM50509188 CHEMBL4566446

SMILES: Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1

InChI Key: InChIKey=KDLYXJILURZOHN-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50509188   

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))	BDBM50509188 (CHEMBL4566446) Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1 Show InChI InChI=1S/C30H32N10O2S/c1-21-9-11-22(12-10-21)19-40-20-25(35-39-40)14-16-27(41)32-26-15-13-23(34-36-26)6-2-3-8-29-37-38-30(43-29)33-28(42)18-24-7-4-5-17-31-24/h4-5,7,9-13,15,17,20H,2-3,6,8,14,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assay				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))	BDBM50509188 (CHEMBL4566446) Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1 Show InChI InChI=1S/C30H32N10O2S/c1-21-9-11-22(12-10-21)19-40-20-25(35-39-40)14-16-27(41)32-26-15-13-23(34-36-26)6-2-3-8-29-37-38-30(43-29)33-28(42)18-24-7-4-5-17-31-24/h4-5,7,9-13,15,17,20H,2-3,6,8,14,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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))	BDBM50509188 (CHEMBL4566446) Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1 Show InChI InChI=1S/C30H32N10O2S/c1-21-9-11-22(12-10-21)19-40-20-25(35-39-40)14-16-27(41)32-26-15-13-23(34-36-26)6-2-3-8-29-37-38-30(43-29)33-28(42)18-24-7-4-5-17-31-24/h4-5,7,9-13,15,17,20H,2-3,6,8,14,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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