Compile Data Set for Download or QSAR

Found 34 hits of kd for UniProtKB: P07813   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286772 (CHEMBL4160841) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C12H18N2O3S/c1-9(2)8-11(13)12(15)14-18(16,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630400 (US11802110, Compound 4.20) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(OC(F)(F)F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	1.39	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630392 (US11802110, Compound R-4.12) Show SMILES CC(C)C[C@H](N)C(=O)N[S@](=O)c1cccc(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630391 (US11802110, Compound 4.11) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	2.17	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630399 (US11802110, Compound 4.19) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(c1)C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	3.35	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630404 (US11802110, Compound 4.27) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(c1)C#C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	3.69	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630176 (US11802110, Compound R-4.1) Show SMILES CC(C)C[C@H](N)C(=O)N[S@](=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630394 (US11802110, Compound 4.14) Show SMILES COc1cccc(c1)S(=O)NC(=O)C(N)CC(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	4.02	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630397 (US11802110, Compound 4.17) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630407 (US11802110, Compound 4.32) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1ccccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	4.61	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630398 (US11802110, Compound 4.18) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	6.06	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630401 (US11802110, Compound 4.21) Show SMILES COC(=O)c1cccc(c1)S(=O)NC(=O)C(N)CC(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	6.61	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630393 (US11802110, Compound 4.13) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	6.62	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630406 (US11802110, Compound 4.31) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1ccccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	6.78	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630405 (US11802110, Compound 4.29) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	9.14	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286766 (CHEMBL4163450) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1 |r| Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286770 (CHEMBL4171058) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C18H22N2O3S/c1-13(2)11-17(19)18(21)20-24(22,23)16-10-6-9-15(12-16)14-7-4-3-5-8-14/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630395 (US11802110, Compound 4.15) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(Br)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286774 (CHEMBL4163140) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccncc1 |r| Show InChI InChI=1S/C17H21N3O3S/c1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13/h3-9,11-12,16H,10,18H2,1-2H3,(H,20,21)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630410 (US11802110, Compound 4.39) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286767 (CHEMBL4172643) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)c1 |r| Show InChI InChI=1S/C17H22N4O3S/c1-11(2)8-15(18)17(22)21-25(23,24)14-5-3-4-12(9-14)13-6-7-20-16(19)10-13/h3-7,9-11,15H,8,18H2,1-2H3,(H2,19,20)(H,21,22)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286765 (CHEMBL4159778) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cccc(N)n1 |r| Show InChI InChI=1S/C17H22N4O3S/c1-11(2)9-14(18)17(22)21-25(23,24)13-6-3-5-12(10-13)15-7-4-8-16(19)20-15/h3-8,10-11,14H,9,18H2,1-2H3,(H2,19,20)(H,21,22)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286769 (CHEMBL4161986) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)n1 |r| Show InChI InChI=1S/C16H21N5O3S/c1-10(2)8-13(17)15(22)21-25(23,24)12-5-3-4-11(9-12)14-6-7-19-16(18)20-14/h3-7,9-10,13H,8,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630409 (US11802110, Compound 4.35) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cc(F)cc(F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630403 (US11802110, Compound 4.23) Show SMILES COCc1cccc(c1)S(=O)NC(=O)C(N)CC(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286771 (CHEMBL4167692) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)ncn1 |r| Show InChI InChI=1S/C17H22N4O3S/c1-11(2)7-15(18)17(22)21-25(23,24)14-6-4-5-13(9-14)16-8-12(3)19-10-20-16/h4-6,8-11,15H,7,18H2,1-3H3,(H,21,22)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630396 (US11802110, Compound 4.16) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(C=C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	27.2	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630402 (US11802110, Compound 4.22) Show SMILES CNc1cccc(c1)S(=O)NC(=O)C(N)CC(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	34.5	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286775 (CHEMBL4174152) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H25N5O3S/c1-14(2)11-18(23)21(28)27-31(29,30)17-10-6-9-16(12-17)20-13-19(25-22(24)26-20)15-7-4-3-5-8-15/h3-10,12-14,18H,11,23H2,1-2H3,(H,27,28)(H2,24,25,26)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50286768 (CHEMBL4171458) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C16H20N2O3S/c1-11(2)9-15(17)16(19)18-22(20,21)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a
Oxford Drug Design Ltd. Curated by ChEMBL					Assay Description Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry				ACS Med Chem Lett 9: 84-88 (2018) Article DOI: 10.1021/acsmedchemlett.7b00374 BindingDB Entry DOI: 10.7270/Q2BZ68KK
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630389 (US11802110, Compound 4.4) Show SMILES CCCC(N)C(=O)NS(=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630408 (US11802110, Compound 4.34) Show SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(F)c1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630390 (US11802110, Compound 4.7) Show SMILES CC(C)CC(C)(N)C(=O)NS(=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a
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Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM630388 (US11802110, Compound S-4.1) Show SMILES CC(C)C[C@H](N)C(=O)N[S@@](=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	9.13E+3	n/a	n/a	n/a	n/a	n/a
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