Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'khan' and Initial = 'ia'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells				J Nat Prod 64: 1322-5 (2001) BindingDB Entry DOI: 10.7270/Q2C24W57
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM50377587 (CHEMBL404394) Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12 Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377587 (CHEMBL404394) Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12 Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075297 (CHEMBL2207606) Show SMILES COc1cc(OC)c(cc1NC(=O)\C=C\C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C24H20N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-14H,1-2H3,(H,25,27)(H,28,29)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075297 (CHEMBL2207606) Show SMILES COc1cc(OC)c(cc1NC(=O)\C=C\C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C24H20N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-14H,1-2H3,(H,25,27)(H,28,29)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM92474 (Sulfonamide, 5) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C24H22N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair				3D Structure (docked)
Bifunctional protein GlmU (Escherichia coli)	BDBM92474 (Sulfonamide, 5) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C24H22N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair				3D Structure (docked)
Bifunctional protein GlmU (Escherichia coli)	BDBM92472 (Sulfonamide, 3) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc(N)cc1 Show InChI InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional protein GlmU (Escherichia coli)	BDBM92472 (Sulfonamide, 3) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc(N)cc1 Show InChI InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional protein GlmU (Escherichia coli)	BDBM50075298 (CHEMBL2207605) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1Cc2ccccc2Oc2ccccc12 Show InChI InChI=1S/C25H24N2O8S/c1-33-21-14-22(34-2)23(13-17(21)26-24(28)11-12-25(29)30)36(31,32)27-15-16-7-3-5-9-19(16)35-20-10-6-4-8-18(20)27/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075387 (CHEMBL3415068) Show SMILES COc1cc(OC)c(cc1NC(=O)[C@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/C26H24N2O8S/c1-14-23(24(14)26(30)31)25(29)27-15-12-22(21(35-3)13-20(15)34-2)37(32,33)28-16-8-4-6-10-18(16)36-19-11-7-5-9-17(19)28/h4-14,23-24H,1-3H3,(H,27,29)(H,30,31)/t14-,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075387 (CHEMBL3415068) Show SMILES COc1cc(OC)c(cc1NC(=O)[C@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/C26H24N2O8S/c1-14-23(24(14)26(30)31)25(29)27-15-12-22(21(35-3)13-20(15)34-2)37(32,33)28-16-8-4-6-10-18(16)36-19-11-7-5-9-17(19)28/h4-14,23-24H,1-3H3,(H,27,29)(H,30,31)/t14-,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075298 (CHEMBL2207605) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1Cc2ccccc2Oc2ccccc12 Show InChI InChI=1S/C25H24N2O8S/c1-33-21-14-22(34-2)23(13-17(21)26-24(28)11-12-25(29)30)36(31,32)27-15-16-7-3-5-9-19(16)35-20-10-6-4-8-18(20)27/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075300 (CHEMBL2207602) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H26N2O7S/c1-36-24-18-25(37-2)26(17-23(24)29-27(31)14-15-28(32)33)38(34,35)30(21-10-4-3-5-11-21)22-13-12-19-8-6-7-9-20(19)16-22/h3-13,16-18H,14-15H2,1-2H3,(H,29,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075301 (CHEMBL2207600) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C26H28N2O7S/c1-17-5-9-19(10-6-17)28(20-11-7-18(2)8-12-20)36(32,33)24-15-21(22(34-3)16-23(24)35-4)27-25(29)13-14-26(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,27,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075301 (CHEMBL2207600) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C26H28N2O7S/c1-17-5-9-19(10-6-17)28(20-11-7-18(2)8-12-20)36(32,33)24-15-21(22(34-3)16-23(24)35-4)27-25(29)13-14-26(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,27,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075325 (CHEMBL2207599) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24N2O7S/c1-32-20-16-21(33-2)22(15-19(20)25-23(27)13-14-24(28)29)34(30,31)26(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075300 (CHEMBL2207602) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H26N2O7S/c1-36-24-18-25(37-2)26(17-23(24)29-27(31)14-15-28(32)33)38(34,35)30(21-10-4-3-5-11-21)22-13-12-19-8-6-7-9-20(19)16-22/h3-13,16-18H,14-15H2,1-2H3,(H,29,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075325 (CHEMBL2207599) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24N2O7S/c1-32-20-16-21(33-2)22(15-19(20)25-23(27)13-14-24(28)29)34(30,31)26(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075381 (CHEMBL3415072) Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C21H24N2O7S/c1-13-7-8-14-5-3-4-6-16(14)23(13)31(28,29)19-11-15(18(30-2)12-17(19)24)22-20(25)9-10-21(26)27/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,25)(H,26,27)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075381 (CHEMBL3415072) Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C21H24N2O7S/c1-13-7-8-14-5-3-4-6-16(14)23(13)31(28,29)19-11-15(18(30-2)12-17(19)24)22-20(25)9-10-21(26)27/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,25)(H,26,27)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075385 (CHEMBL2207224) Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccncc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C27H23N3O6S/c1-34-24-17-25(35-2)26(16-19(24)29-27(31)15-18-11-13-28-14-12-18)37(32,33)30-20-7-3-5-9-22(20)36-23-10-6-4-8-21(23)30/h3-14,16-17H,15H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075385 (CHEMBL2207224) Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccncc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C27H23N3O6S/c1-34-24-17-25(35-2)26(16-19(24)29-27(31)15-18-11-13-28-14-12-18)37(32,33)30-20-7-3-5-9-22(20)36-23-10-6-4-8-21(23)30/h3-14,16-17H,15H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075379 (CHEMBL3415115) Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/C25H22N2O8S/c1-13-22(23(13)25(30)31)24(29)26-14-11-21(17(28)12-20(14)34-2)36(32,33)27-15-7-3-5-9-18(15)35-19-10-6-4-8-16(19)27/h3-13,22-23,28H,1-2H3,(H,26,29)(H,30,31)/t13-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075379 (CHEMBL3415115) Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/C25H22N2O8S/c1-13-22(23(13)25(30)31)24(29)26-14-11-21(17(28)12-20(14)34-2)36(32,33)27-15-7-3-5-9-18(15)35-19-10-6-4-8-16(19)27/h3-13,22-23,28H,1-2H3,(H,26,29)(H,30,31)/t13-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum enoyl-ACP reductase assessed as oxidation of NADH to NAD+ after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 610-2 (2011) Article DOI: 10.1016/j.bmcl.2011.10.072 BindingDB Entry DOI: 10.7270/Q2K35V3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional protein GlmU (Escherichia coli)	BDBM50075383 (CHEMBL2207226) Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(F)c1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C27H22FN3O6S/c1-35-23-16-24(36-2)25(15-18(23)30-27(32)14-17-11-12-29-26(28)13-17)38(33,34)31-19-7-3-5-9-21(19)37-22-10-6-4-8-20(22)31/h3-13,15-16H,14H2,1-2H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075383 (CHEMBL2207226) Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(F)c1)S(=O)(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C27H22FN3O6S/c1-35-23-16-24(36-2)25(15-18(23)30-27(32)14-17-11-12-29-26(28)13-17)38(33,34)31-19-7-3-5-9-21(19)37-22-10-6-4-8-20(22)31/h3-13,15-16H,14H2,1-2H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075299 (CHEMBL2207604) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C24H22N2O7S2/c1-32-18-14-19(33-2)22(13-15(18)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-20(16)34-21-10-6-4-8-17(21)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075370 (CHEMBL3414903) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H26N2O7S/c1-14-8-9-15-6-4-5-7-17(15)24(14)32(28,29)20-12-16(18(30-2)13-19(20)31-3)23-21(25)10-11-22(26)27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)(H,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075299 (CHEMBL2207604) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C24H22N2O7S2/c1-32-18-14-19(33-2)22(13-15(18)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-20(16)34-21-10-6-4-8-17(21)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075370 (CHEMBL3414903) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H26N2O7S/c1-14-8-9-15-6-4-5-7-17(15)24(14)32(28,29)20-12-16(18(30-2)13-19(20)31-3)23-21(25)10-11-22(26)27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)(H,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075369 (CHEMBL3414904) Show SMILES COc1cc(OC)c(cc1NC(=O)CSCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H26N2O7S2/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075369 (CHEMBL3414904) Show SMILES COc1cc(OC)c(cc1NC(=O)CSCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H26N2O7S2/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase (Toxoplasma gondii)	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant MAPK1 expressed in Escherichia coli				Antimicrob Agents Chemother 51: 4324-8 (2007) Article DOI: 10.1128/AAC.00680-07 BindingDB Entry DOI: 10.7270/Q2Q52QJG
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50498223 (CHEMBL3577359) Show SMILES COc1cc(O)cc2\C=C\C=C\C=C\C=C\C=C(C)\CC(O)CC(O)CC(O)\C=C\CC(O)CC(CC(C)O)OC(=O)c3c(OC)cc(O)cc3\C=C\C=C\C=C\C=C\C=C(C)\CC(O)CC(O)CC(O)\C=C\CC(O)CC(CC(C)O)OC(=O)c12 |c:16,60,t:8,10,12,14,28,52,54,56,58,72| Show InChI InChI=1S/C68H92O18/c1-45-23-17-13-9-7-11-15-19-25-49-35-57(77)43-63(83-5)65(49)67(81)86-62(34-48(4)70)42-54(74)30-22-28-52(72)38-60(80)40-56(76)32-46(2)24-18-14-10-8-12-16-20-26-50-36-58(78)44-64(84-6)66(50)68(82)85-61(33-47(3)69)41-53(73)29-21-27-51(71)37-59(79)39-55(75)31-45/h7-28,35-36,43-44,47-48,51-56,59-62,69-80H,29-34,37-42H2,1-6H3/b9-7+,10-8+,15-11+,16-12+,17-13+,18-14+,25-19+,26-20+,27-21+,28-22+,45-23+,46-24+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Lucigen Corporation Curated by ChEMBL					Assay Description Antibacterial activity against Enterococcus faecalis ATCC 51299 assessed as growth inhibition using fresh sample in DMSO by CLSI method				J Nat Prod 78: 924-8 (2015) Article DOI: 10.1021/np500911k BindingDB Entry DOI: 10.7270/Q2GT5R6X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase (Toxoplasma gondii)	BDBM50295553 (4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(pyridi...) Show SMILES OCCC#Cc1nc(c(-c2ccncc2)n1CCCc1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H24FN3O/c28-24-13-11-22(12-14-24)26-27(23-15-17-29-18-16-23)31(25(30-26)10-4-5-20-32)19-6-9-21-7-2-1-3-8-21/h1-3,7-8,11-18,32H,5-6,9,19-20H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant MAPK1 expressed in Escherichia coli				Antimicrob Agents Chemother 51: 4324-8 (2007) Article DOI: 10.1128/AAC.00680-07 BindingDB Entry DOI: 10.7270/Q2Q52QJG
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075372 (CHEMBL3414901) Show SMILES COc1cc(OC)c(cc1NC(=O)COCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H26N2O8S/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075372 (CHEMBL3414901) Show SMILES COc1cc(OC)c(cc1NC(=O)COCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H26N2O8S/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50365095 (CHEMBL1951184) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(COC(=O)CCC(O)=O)CC1 Show InChI InChI=1S/C29H37N3O11S/c1-41-23-16-24(42-2)25(15-21(23)31-26(33)7-8-27(34)35)44(39,40)30-17-20-5-3-4-6-22(20)32-13-11-19(12-14-32)18-43-29(38)10-9-28(36)37/h3-6,15-16,19,30H,7-14,17-18H2,1-2H3,(H,31,33)(H,34,35)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50365095 (CHEMBL1951184) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(COC(=O)CCC(O)=O)CC1 Show InChI InChI=1S/C29H37N3O11S/c1-41-23-16-24(42-2)25(15-21(23)31-26(33)7-8-27(34)35)44(39,40)30-17-20-5-3-4-6-22(20)32-13-11-19(12-14-32)18-43-29(38)10-9-28(36)37/h3-6,15-16,19,30H,7-14,17-18H2,1-2H3,(H,31,33)(H,34,35)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13531 (4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...) Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as [gamma33P]ATP utilization by microplate scintillation counting				Antimicrob Agents Chemother 51: 4324-8 (2007) Article DOI: 10.1128/AAC.00680-07 BindingDB Entry DOI: 10.7270/Q2Q52QJG
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50365098 (CHEMBL1951187) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H33N3O9S/c1-37-21-15-22(38-2)23(14-19(21)28-24(30)7-8-25(31)32)39(35,36)27-16-18-5-3-4-6-20(18)29-11-9-17(10-12-29)13-26(33)34/h3-6,14-15,17,27H,7-13,16H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075386 (CHEMBL3415069) Show SMILES COc1cc(OC)c(cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C24H28N2O7S/c1-13-9-10-15-7-5-6-8-17(15)26(13)34(30,31)20-11-16(18(32-3)12-19(20)33-4)25-23(27)21-14(2)22(21)24(28)29/h5-8,11-14,21-22H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t13-,14+,21+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075386 (CHEMBL3415069) Show SMILES COc1cc(OC)c(cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C24H28N2O7S/c1-13-9-10-15-7-5-6-8-17(15)26(13)34(30,31)20-11-16(18(32-3)12-19(20)33-4)25-23(27)21-14(2)22(21)24(28)29/h5-8,11-14,21-22H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t13-,14+,21+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50365098 (CHEMBL1951187) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H33N3O9S/c1-37-21-15-22(38-2)23(14-19(21)28-24(30)7-8-25(31)32)39(35,36)27-16-18-5-3-4-6-20(18)29-11-9-17(10-12-29)13-26(33)34/h3-6,14-15,17,27H,7-13,16H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair

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