BDBM50064292 RUBROLIDE A::Rubrolide A

SMILES: Oc1c(Br)cc(\C=C2/OC(=O)C=C2c2cc(Br)c(O)c(Br)c2)cc1Br

InChI Key: InChIKey=RQFYDYMMVXKTBY-BNNQUZSASA-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 = 50064292   

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
Cystathionine beta-synthase (Homo sapiens (Human))	BDBM50064292 (RUBROLIDE A | Rubrolide A) Show SMILES Oc1c(Br)cc(\C=C2/OC(=O)C=C2c2cc(Br)c(O)c(Br)c2)cc1Br |c:11| Show InChI InChI=1S/C17H8Br4O4/c18-10-1-7(2-11(19)16(10)23)3-14-9(6-15(22)25-14)8-4-12(20)17(24)13(21)5-8/h1-6,23-24H/b14-3-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...				Bioorg Med Chem Lett 25: 1064-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.013 BindingDB Entry DOI: 10.7270/Q2MW2JT9
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50064292 (RUBROLIDE A | Rubrolide A) Show SMILES Oc1c(Br)cc(\C=C2/OC(=O)C=C2c2cc(Br)c(O)c(Br)c2)cc1Br |c:11| Show InChI InChI=1S/C17H8Br4O4/c18-10-1-7(2-11(19)16(10)23)3-14-9(6-15(22)25-14)8-4-12(20)17(24)13(21)5-8/h1-6,23-24H/b14-3-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans ICL assessed as reduction in glyoxylate phenylhydrazone formation using M threo-DL(+)isocitrate as substrate incubated...				J Nat Prod 83: 429-437 (2020)
					More data for this Ligand-Target Pair
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50064292 (RUBROLIDE A | Rubrolide A) Show SMILES Oc1c(Br)cc(\C=C2/OC(=O)C=C2c2cc(Br)c(O)c(Br)c2)cc1Br |c:11| Show InChI InChI=1S/C17H8Br4O4/c18-10-1-7(2-11(19)16(10)23)3-14-9(6-15(22)25-14)8-4-12(20)17(24)13(21)5-8/h1-6,23-24H/b14-3-	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus sortase A				J Nat Prod 83: 429-437 (2020)
					More data for this Ligand-Target Pair