BDBM50238207 CHEMBL4100814

SMILES: Brc1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1

InChI Key: InChIKey=XQVKEBSSUVUBGA-UNOMPAQXSA-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 = 50238207   

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 liver isoform, mitochondrial (Homo sapiens)	BDBM50238207 (CHEMBL4100814) Show SMILES Brc1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C22H13BrN2O2S3/c23-14-5-7-15(8-6-14)25-16(17-3-1-9-28-17)11-13(20(25)18-4-2-10-29-18)12-19-21(26)24-22(27)30-19/h1-12H,(H,24,26,27)/b19-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+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))	BDBM50238207 (CHEMBL4100814) Show SMILES Brc1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C22H13BrN2O2S3/c23-14-5-7-15(8-6-14)25-16(17-3-1-9-28-17)11-13(20(25)18-4-2-10-29-18)12-19-21(26)24-22(27)30-19/h1-12H,(H,24,26,27)/b19-12-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	754	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
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50238207 (CHEMBL4100814) Show SMILES Brc1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C22H13BrN2O2S3/c23-14-5-7-15(8-6-14)25-16(17-3-1-9-28-17)11-13(20(25)18-4-2-10-29-18)12-19-21(26)24-22(27)30-19/h1-12H,(H,24,26,27)/b19-12-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+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 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