Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'tarun' and Initial = 'a'   

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 [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
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8				J Nat Prod 76: 1064-70 (2013) Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM50056923 ((+)-usnic acid | (9bR)-2,6-diacetyl-3,7,9-trihydro...) Show SMILES CC(=O)C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O |r,t:6| Show InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8				J Nat Prod 76: 1064-70 (2013) Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM50478424 (Vulpinic Acid) Show SMILES COC(=O)C(=C1\OC(=O)C(=C1O)c1ccccc1)\c1ccccc1 |c:9| Show InChI InChI=1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,20H,1H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8				J Nat Prod 76: 1064-70 (2013) Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM50491952 (EVERNIC ACID) Show SMILES COc1cc(C)c(C(=O)Oc2cc(C)c(C(O)=O)c(O)c2)c(O)c1 Show InChI InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8				J Nat Prod 76: 1064-70 (2013) Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) Show SMILES COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C Show InChI InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8				J Nat Prod 76: 1064-70 (2013) Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77
					More data for this Ligand-Target Pair