Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50000139   

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))	BDBM50241355 (CHEMBL4075121) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2OCCc2c1 Show InChI InChI=1S/C25H25NO/c1-26(19-21-11-14-25-24(18-21)15-17-27-25)16-5-6-20-9-12-23(13-10-20)22-7-3-2-4-8-22/h2-14,18H,15-17,19H2,1H3/b6-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.330	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 Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis				J Med Chem 60: 8145-8159 (2017) Article DOI: 10.1021/acs.jmedchem.7b00949 BindingDB Entry DOI: 10.7270/Q2445PNX
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50241304 (CHEMBL4077944) Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1 Show InChI InChI=1S/C28H29NO/c1-29(22-24-15-18-27-12-8-20-30-28(27)21-24)19-7-3-4-9-23-13-16-26(17-14-23)25-10-5-2-6-11-25/h2-7,9-11,13-18,21H,8,12,19-20,22H2,1H3/b7-3+,9-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.360	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 Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis				J Med Chem 60: 8145-8159 (2017) Article DOI: 10.1021/acs.jmedchem.7b00949 BindingDB Entry DOI: 10.7270/Q2445PNX
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50187723 (CHEMBL3827961) Show SMILES Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1 Show InChI InChI=1S/C23H29NO.ClH/c1-24(16-6-7-19-11-14-23(25-2)15-12-19)18-20-10-13-21-8-4-3-5-9-22(21)17-20;/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3;1H/b7-6+;	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	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 Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis				J Med Chem 60: 8145-8159 (2017) Article DOI: 10.1021/acs.jmedchem.7b00949 BindingDB Entry DOI: 10.7270/Q2445PNX
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50241288 (CHEMBL4064940) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1 Show InChI InChI=1S/C26H27NO/c1-27(20-22-13-16-25-10-6-18-28-26(25)19-22)17-5-7-21-11-14-24(15-12-21)23-8-3-2-4-9-23/h2-5,7-9,11-16,19H,6,10,17-18,20H2,1H3/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	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 Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis				J Med Chem 60: 8145-8159 (2017) Article DOI: 10.1021/acs.jmedchem.7b00949 BindingDB Entry DOI: 10.7270/Q2445PNX
					More data for this Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) (Staphylococcus aureus (strain Newman))	BDBM50241368 (CHEMBL4096875) Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCc2c1 Show InChI InChI=1S/C20H20F3NO/c1-24(14-16-6-9-19-17(13-16)10-12-25-19)11-2-3-15-4-7-18(8-5-15)20(21,22)23/h2-9,13H,10-12,14H2,1H3/b3-2+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	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 Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis				J Med Chem 60: 8145-8159 (2017) Article DOI: 10.1021/acs.jmedchem.7b00949 BindingDB Entry DOI: 10.7270/Q2445PNX
					More data for this Ligand-Target Pair