Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)' and Ligand = 'BDBM50247169'   

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 desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50247169 (CHEMBL4101749) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C25H24N2/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21/h2-17,26H,18-19H2,1H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CrtN in methicillin-resistant Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotome...				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50247169 (CHEMBL4101749) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C25H24N2/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21/h2-17,26H,18-19H2,1H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CrtN in Staphylococcus aureus Newman after 12 resistant development passages under 0.15% v/v H2O2 assessed as reduction in staphyloxant...				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50247169 (CHEMBL4101749) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C25H24N2/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21/h2-17,26H,18-19H2,1H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50247169 (CHEMBL4101749) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C25H24N2/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21/h2-17,26H,18-19H2,1H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CrtN in methicillin-resistant Staphylococcus aureus LAC USA300 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain MW2))	BDBM50247169 (CHEMBL4101749) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C25H24N2/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21/h2-17,26H,18-19H2,1H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CrtN in methicillin-resistant Staphylococcus aureus USA400 MW2 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50247169 (CHEMBL4101749) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12 Show InChI InChI=1S/C25H24N2/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21/h2-17,26H,18-19H2,1H3/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Newman 6His-tagged CrtN expressed in Escherichia coli BL21 (DE3)/pET28a::CrtN assessed as reduction in staphyloxa...				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair