BDBM50238197 CHEMBL4082885

SMILES: COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1

InChI Key: InChIKey=BBDJFYLWIIYIPJ-VIKGVABRSA-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 = 50238197   

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))	BDBM50238197 (CHEMBL4082885) Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C33H21N3O5S4/c1-41-24-17-21(10-11-22(24)19-8-6-18(7-9-19)14-27-30(37)34-32(39)44-27)36-23(25-4-2-12-42-25)15-20(29(36)26-5-3-13-43-26)16-28-31(38)35-33(40)45-28/h2-17H,1H3,(H,34,37,39)(H,35,38,40)/b27-14-,28-16-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate				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)	BDBM50238197 (CHEMBL4082885) Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C33H21N3O5S4/c1-41-24-17-21(10-11-22(24)19-8-6-18(7-9-19)14-27-30(37)34-32(39)44-27)36-23(25-4-2-12-42-25)15-20(29(36)26-5-3-13-43-26)16-28-31(38)35-33(40)45-28/h2-17H,1H3,(H,34,37,39)(H,35,38,40)/b27-14-,28-16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	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))	BDBM50238197 (CHEMBL4082885) Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C33H21N3O5S4/c1-41-24-17-21(10-11-22(24)19-8-6-18(7-9-19)14-27-30(37)34-32(39)44-27)36-23(25-4-2-12-42-25)15-20(29(36)26-5-3-13-43-26)16-28-31(38)35-33(40)45-28/h2-17H,1H3,(H,34,37,39)(H,35,38,40)/b27-14-,28-16-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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