Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'carballeira' and Initial = 'nm'   

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
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50220547 (4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...) Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6| Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FabI in presence of variable crotonyl-coA level				Bioorg Med Chem 15: 6834-45 (2007) Article DOI: 10.1016/j.bmc.2007.07.032 BindingDB Entry DOI: 10.7270/Q2VQ32DZ
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50220547 (4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...) Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6| Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FabI in presence of variable NADH levels				Bioorg Med Chem 15: 6834-45 (2007) Article DOI: 10.1016/j.bmc.2007.07.032 BindingDB Entry DOI: 10.7270/Q2VQ32DZ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis inhA				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Non-competitive inhibition of Plasmodium falciparum FabI using NADH as cofactor by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Non-competitive inhibition of Plasmodium falciparum FabI using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Competitive inhibition of Plasmodium falciparum FabZ using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Non-competitive inhibition of Plasmodium falciparum FabG using NADH as cofactor by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Competitive inhibition of Plasmodium falciparum FabG using acetoacetyl-CoA as substrate by Michaelis-Menten steady state analysis				Bioorg Med Chem 18: 7475-85 (2010) Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50250903 ((5Z,9Z)-5,9-heptacosadienoic acid | CHEMBL463437) Show SMILES CCCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O Show InChI InChI=1S/C27H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1				J Nat Prod 65: 1715-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7HFB
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50150484 ((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of DNA topoisomerase 1 (unknown origin)				J Nat Prod 65: 1715-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7HFB
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50478451 (CHEMBL442810) Show SMILES CC(C)CCC\C=C/CC\C=C/CCCC(O)=O Show InChI InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis group D ATCC 29212 after overnight incubation				J Nat Prod 60: 502-4 (1997) Article DOI: 10.1021/np970034t BindingDB Entry DOI: 10.7270/Q2445Q8D
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Inter American University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of supercoiling activity of Staphylococcus aureus DNA gyrase using relaxed pHOT1 plasmid DNA after 60 mins using ethidium bromide staining...				Bioorg Med Chem Lett 25: 5067-71 (2015) Article DOI: 10.1016/j.bmcl.2015.10.022 BindingDB Entry DOI: 10.7270/Q2GF0WBP
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50133156 (CHEMBL3634703) Show SMILES CCCCCCCCCCCCCC#CC(=O)Oc1ccc(\C=C\C(=O)\C=C\c2ccc(OC(=O)C#CCCCCCCCCCCCCC)c(OC)c2)cc1OC Show InChI InChI=1S/C51H70O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-50(53)57-46-39-35-43(41-48(46)55-3)33-37-45(52)38-34-44-36-40-47(49(42-44)56-4)58-51(54)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-42H,5-28H2,1-4H3/b37-33+,38-34+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Inter American University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of supercoiling activity of Staphylococcus aureus DNA gyrase using relaxed pHOT1 plasmid DNA after 60 mins using ethidium bromide staining...				Bioorg Med Chem Lett 25: 5067-71 (2015) Article DOI: 10.1016/j.bmcl.2015.10.022 BindingDB Entry DOI: 10.7270/Q2GF0WBP
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50250904 (CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...) Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of DNA topoisomerase 1 (unknown origin)				J Nat Prod 65: 1715-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7HFB
					More data for this Ligand-Target Pair
Topoisomerase I subunit B (Leishmania major)	BDBM50392268 (CHEMBL2153501) Show SMILES CCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-11H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.78E+4	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...				Bioorg Med Chem Lett 22: 6185-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.019 BindingDB Entry DOI: 10.7270/Q2R49RW0
					More data for this Ligand-Target Pair
Topoisomerase I subunit B (Leishmania major)	BDBM50329257 (2-Hexadecynoic acid | CHEMBL1269411) Show SMILES CCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...				Bioorg Med Chem Lett 22: 6185-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.019 BindingDB Entry DOI: 10.7270/Q2R49RW0
					More data for this Ligand-Target Pair
Topoisomerase I subunit B (Leishmania major)	BDBM50392269 (CHEMBL2153502) Show SMILES CCCCCCCCCCCCCCCC#CC(O)=O Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-15H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...				Bioorg Med Chem Lett 22: 6185-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.019 BindingDB Entry DOI: 10.7270/Q2R49RW0
					More data for this Ligand-Target Pair
Topoisomerase I subunit B (Leishmania major)	BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agaros...				Bioorg Med Chem Lett 22: 6185-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.019 BindingDB Entry DOI: 10.7270/Q2R49RW0
					More data for this Ligand-Target Pair