Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
4,4'-diapophytoene synthase   (287/287 = 100%)† (Staphylococcus aureus)	BDBM50388903 (CHEMBL2063253) Show SMILES OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	250	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)
4,4'-diapophytoene synthase   (287/287 = 100%)† (Staphylococcus aureus)	BDBM50388903 (CHEMBL2063253) Show SMILES OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.00E+3	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)
4,4'-diapophytoene synthase   (287/287 = 100%)† (Staphylococcus aureus)	BDBM50388903 (CHEMBL2063253) Show SMILES OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+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)

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