Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2152   

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
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356255 (US10213407, ID 1) Show SMILES [I-].CC[N+](C)(CC)CCN=C=S Show InChI InChI=1S/C8H17N2S/c1-4-10(3,5-2)7-6-9-8-11/h4-7H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356498 (US10213407, ID 7) Show SMILES [O-]S(=O)(=O)C(F)(F)F.CC[N+](CC)(CCBr)CCCN=C=S Show InChI InChI=1S/C10H20BrN2S/c1-3-13(4-2,9-6-11)8-5-7-12-10-14/h3-9H2,1-2H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356493 (US10213407, ID 2) Show SMILES [I-].CC[N+](C)(CC)CCCN=C=S Show InChI InChI=1S/C9H19N2S/c1-4-11(3,5-2)8-6-7-10-9-12/h4-8H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356497 (US10213407, ID 6) Show SMILES [Br-].CCOC(=O)C(=O)C[N+](C)(C)CCCN=C=S Show InChI InChI=1S/C11H19N2O3S/c1-4-16-11(15)10(14)8-13(2,3)7-5-6-12-9-17/h4-8H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356499 (US10213407, ID 8) Show SMILES [Br-].C[N+](C)(CCN=C=S)CC#N Show InChI InChI=1S/C7H12N3S/c1-10(2,5-3-8)6-4-9-7-11/h4-6H2,1-2H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356494 (US10213407, ID 3) Show SMILES [Br-].CCOC(=O)C[N+](CC)(CC)CCCN=C=S Show InChI InChI=1S/C12H23N2O2S/c1-4-14(5-2,9-7-8-13-11-17)10-12(15)16-6-3/h4-10H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356495 (US10213407, ID 4) Show SMILES [Br-].CCOC(=O)C[N+](C)(C)CCN=C=S Show InChI InChI=1S/C9H17N2O2S/c1-4-13-9(12)7-11(2,3)6-5-10-8-14/h4-7H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356500 (US10213407, ID 9) Show SMILES [Br-].CC[N+](CC)(CCCN=C=S)CC#N Show InChI InChI=1S/C10H18N3S/c1-3-13(4-2,9-6-11)8-5-7-12-10-14/h3-5,7-9H2,1-2H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair
Carnitine monooxygenase oxygenase/reductase subunit (Escherichia coli (strain K12))	BDBM356496 (US10213407, ID 5) Show SMILES [Br-].CCOC(=O)C(=O)C[N+](C)(C)CCN=C=S Show InChI InChI=1S/C10H17N2O3S/c1-4-15-10(14)9(13)7-12(2,3)6-5-11-8-16/h4-7H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.51E+6	n/a	n/a	n/a	n/a	n/a	n/a
THE PROCTER & GAMBLE COMPANY; THE CLEVELAND CLINIC FOUNDATION US Patent					Assay Description Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yea...				US Patent US10213407 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RTJ
					More data for this Ligand-Target Pair