BDBM50238198 CHEMBL4061000

SMILES: COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=ATNJAOBQSYRYGW-UHPAGLKWSA-N

Data: 3 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 3 hits for monomerid = 50238198   

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))	BDBM50238198 (CHEMBL4061000) Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human MCF7 cells derived His-tagged GAC (L123 to S598 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine...				J Med Chem 60: 5599-5612 (2017) Article DOI: 10.1021/acs.jmedchem.7b00282 BindingDB Entry DOI: 10.7270/Q26H4KP5
					More data for this Ligand-Target Pair
Glutaminase liver isoform, mitochondrial (Homo sapiens)	BDBM50238198 (CHEMBL4061000) Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	787	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc...				J Med Chem 60: 5599-5612 (2017) Article DOI: 10.1021/acs.jmedchem.7b00282 BindingDB Entry DOI: 10.7270/Q26H4KP5
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50238198 (CHEMBL4061000) Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...				J Med Chem 60: 5599-5612 (2017) Article DOI: 10.1021/acs.jmedchem.7b00282 BindingDB Entry DOI: 10.7270/Q26H4KP5
					More data for this Ligand-Target Pair