Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'frenneaux' and Initial = 'mp'   

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 O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260111 (CHEBI:15531 | MALONYL-COENZYME A) Show SMILES CC(C)(CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O |r| Show InChI InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM61402 ((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...) Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1 Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260115 (CHEMBL4097976) Show SMILES C(C(C1CCCC1)C1CCCCC1)C1CCCCN1 Show InChI InChI=1S/C18H33N/c1-2-8-15(9-3-1)18(16-10-4-5-11-16)14-17-12-6-7-13-19-17/h15-19H,1-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260105 (CHEMBL1592481) Show SMILES C(C(C1CCCCC1)C1CCCCC1)[C@@H]1CCCCN1 Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/t18-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of Wistar rat heart mitochondrial CPT-1 assessed as reduction in conversion of palmitoyl CoA and L-carnitine into palmitoylcarnitine prein...				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260109 (CHEMBL4077250) Show SMILES C(C(C1CCCC1)C1CCCC1)C1CCCCN1 Show InChI InChI=1S/C17H31N/c1-2-8-14(7-1)17(15-9-3-4-10-15)13-16-11-5-6-12-18-16/h14-18H,1-13H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260108 (CHEMBL4082420) Show SMILES C(C(C1CCCCC1)C1CCCCC1)[C@H]1CCCCN1 |r| Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/t18-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260104 (CHEMBL4081530) Show SMILES FC1(F)CCC(CC1)C(CC1CCCCN1)C1CCCCC1 Show InChI InChI=1S/C19H33F2N/c20-19(21)11-9-16(10-12-19)18(15-6-2-1-3-7-15)14-17-8-4-5-13-22-17/h15-18,22H,1-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260105 (CHEMBL1592481) Show SMILES C(C(C1CCCCC1)C1CCCCC1)[C@@H]1CCCCN1 Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/t18-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260112 (CHEMBL4068222) Show SMILES FC1(F)CCC(CC1)C(CC1CCCCN1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C19H31F4N/c20-18(21)8-4-14(5-9-18)17(13-16-3-1-2-12-24-16)15-6-10-19(22,23)11-7-15/h14-17,24H,1-13H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260113 (CHEMBL4059578) Show SMILES FC1(F)CCCC(C1)C(CC1CCCCN1)C1CCCCC1 Show InChI InChI=1S/C19H33F2N/c20-19(21)11-6-9-16(14-19)18(15-7-2-1-3-8-15)13-17-10-4-5-12-22-17/h15-18,22H,1-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260114 (CHEMBL4079982) Show SMILES OC1CCC(CC1)C(CC1CCCCN1)C1CCCCC1 |(16.21,-38.05,;14.88,-37.27,;13.54,-38.03,;12.21,-37.26,;12.23,-35.73,;13.55,-34.95,;14.88,-35.73,;10.89,-34.96,;9.56,-35.73,;8.23,-34.96,;6.9,-35.73,;5.57,-34.95,;5.57,-33.41,;6.91,-32.65,;8.23,-33.42,;10.89,-33.42,;12.22,-32.66,;12.23,-31.13,;10.9,-30.35,;9.56,-31.12,;9.55,-32.66,)| Show InChI InChI=1S/C19H35NO/c21-18-11-9-16(10-12-18)19(15-6-2-1-3-7-15)14-17-8-4-5-13-20-17/h15-21H,1-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Rattus norvegicus)	BDBM50260110 (CHEMBL4097557) Show SMILES C(C(C1CCCCC1)C1CCOCC1)C1CCCCN1 Show InChI InChI=1S/C18H33NO/c1-2-6-15(7-3-1)18(16-9-12-20-13-10-16)14-17-8-4-5-11-19-17/h15-19H,1-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K. Curated by ChEMBL					Assay Description Inhibition of rat heart mitochondrial CPT-1				J Med Chem 60: 2780-2789 (2017) Article DOI: 10.1021/acs.jmedchem.6b01592 BindingDB Entry DOI: 10.7270/Q20867SV
					More data for this Ligand-Target Pair