BDBM50388906 CHEMBL2063256

SMILES: CCCCCCOc1cccc(Cn2ccc(O)c(C(O)=O)c2=O)c1

InChI Key: InChIKey=IEFKPWNGVIDYEA-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50388906   

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
Dehydrosqualene synthase (Staphylococcus aureus)	BDBM50388906 (CHEMBL2063256) Show SMILES CCCCCCOc1cccc(Cn2ccc(O)c(C(O)=O)c2=O)c1 Show InChI InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-tagged CrtM expressed in Escherichia coli BL21(DE3) using Farnesyl pyrophosphate as substrate incubated for ...				ACS Med Chem Lett 3: 402-406 (2012) Article DOI: 10.1021/ml300038t BindingDB Entry DOI: 10.7270/Q2XW4KVQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dehydrosqualene synthase (Staphylococcus aureus)	BDBM50388906 (CHEMBL2063256) Show SMILES CCCCCCOc1cccc(Cn2ccc(O)c(C(O)=O)c2=O)c1 Show InChI InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus isolate WT CrtM-mediated staphyloxanthin synthesis after 72 hrs by spectrophotometry				ACS Med Chem Lett 3: 402-406 (2012) Article DOI: 10.1021/ml300038t BindingDB Entry DOI: 10.7270/Q2XW4KVQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dehydrosqualene synthase (Staphylococcus aureus)	BDBM50388906 (CHEMBL2063256) Show SMILES CCCCCCOc1cccc(Cn2ccc(O)c(C(O)=O)c2=O)c1 Show InChI InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-tagged CrtM expressed in Escherichia coli BL21(DE3) using Farnesyl pyrophosphate as substrate incubated for ...				ACS Med Chem Lett 3: 402-406 (2012) Article DOI: 10.1021/ml300038t BindingDB Entry DOI: 10.7270/Q2XW4KVQ
					More data for this Ligand-Target Pair				3D Structure (crystal)