BDBM50238199 CHEMBL4099331

SMILES: CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1

InChI Key: InChIKey=DUBOMYBLNFQAAX-SZVCAHDZSA-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 = 50238199   

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))	BDBM50238199 (CHEMBL4099331) Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C34H23N3O4S4/c1-2-19-15-21(7-8-22(19)17-28-31(38)35-33(40)44-28)20-9-11-24(12-10-20)37-25(26-5-3-13-42-26)16-23(30(37)27-6-4-14-43-27)18-29-32(39)36-34(41)45-29/h3-18H,2H2,1H3,(H,35,38,40)(H,36,39,41)/b28-17-,29-18-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	391	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)	BDBM50238199 (CHEMBL4099331) Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C34H23N3O4S4/c1-2-19-15-21(7-8-22(19)17-28-31(38)35-33(40)44-28)20-9-11-24(12-10-20)37-25(26-5-3-13-42-26)16-23(30(37)27-6-4-14-43-27)18-29-32(39)36-34(41)45-29/h3-18H,2H2,1H3,(H,35,38,40)(H,36,39,41)/b28-17-,29-18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+3	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))	BDBM50238199 (CHEMBL4099331) Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C34H23N3O4S4/c1-2-19-15-21(7-8-22(19)17-28-31(38)35-33(40)44-28)20-9-11-24(12-10-20)37-25(26-5-3-13-42-26)16-23(30(37)27-6-4-14-43-27)18-29-32(39)36-34(41)45-29/h3-18H,2H2,1H3,(H,35,38,40)(H,36,39,41)/b28-17-,29-18-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	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