Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'amssoms' and Initial = 'k'   

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
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117542 (2-Amino-4-[1-(hydroxycarbamoylmethyl-carbamoyl)-3-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NO Show InChI InChI=1S/C13H24N4O6/c1-7(2)5-9(12(20)15-6-11(19)17-23)16-10(18)4-3-8(14)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)(H,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant against amidase free Glutathionylspermidine Synthetase mutant (C79A)				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118638 (2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118638 (2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118640 ((S)-2-Amino-4-[1-((S)-(S)-2-amino-1-carboxy-ethylc...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CN)C(O)=O Show InChI InChI=1S/C14H26N4O6/c1-7(2)5-9(12(20)18-10(6-15)14(23)24)17-11(19)4-3-8(16)13(21)22/h7-10H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description In vitro binding affinity for Histamine H3 receptor				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118640 ((S)-2-Amino-4-[1-((S)-(S)-2-amino-1-carboxy-ethylc...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CN)C(O)=O Show InChI InChI=1S/C14H26N4O6/c1-7(2)5-9(12(20)18-10(6-15)14(23)24)17-11(19)4-3-8(16)13(21)22/h7-10H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118642 (5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylami...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O Show InChI InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118642 (5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylami...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O Show InChI InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118643 ((S)-2-Amino-4-[1-((S)-(S)-3-amino-1-carboxy-propyl...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCN)C(O)=O Show InChI InChI=1S/C15H28N4O6/c1-8(2)7-11(13(21)19-10(5-6-16)15(24)25)18-12(20)4-3-9(17)14(22)23/h8-11H,3-7,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118643 ((S)-2-Amino-4-[1-((S)-(S)-3-amino-1-carboxy-propyl...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCN)C(O)=O Show InChI InChI=1S/C15H28N4O6/c1-8(2)7-11(13(21)19-10(5-6-16)15(24)25)18-12(20)4-3-9(17)14(22)23/h8-11H,3-7,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118644 ((S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethy...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118644 ((S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethy...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118641 (6-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylami...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C17H32N4O6/c1-10(2)9-13(20-14(22)7-6-11(19)16(24)25)15(23)21-12(17(26)27)5-3-4-8-18/h10-13H,3-9,18-19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)(H,26,27)/t11-,12-,13-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118641 (6-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylami...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C17H32N4O6/c1-10(2)9-13(20-14(22)7-6-11(19)16(24)25)15(23)21-12(17(26)27)5-3-4-8-18/h10-13H,3-9,18-19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)(H,26,27)/t11-,12-,13-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118639 (6-(4-Amino-butylamino)-2-[(S)-2-((S)-4-amino-4-car...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCCN)C(O)=O Show InChI InChI=1S/C21H41N5O6/c1-14(2)13-17(25-18(27)9-8-15(23)20(29)30)19(28)26-16(21(31)32)7-3-5-11-24-12-6-4-10-22/h14-17,24H,3-13,22-23H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t15-,16-,17-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118639 (6-(4-Amino-butylamino)-2-[(S)-2-((S)-4-amino-4-car...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCCN)C(O)=O Show InChI InChI=1S/C21H41N5O6/c1-14(2)13-17(25-18(27)9-8-15(23)20(29)30)19(28)26-16(21(31)32)7-3-5-11-24-12-6-4-10-22/h14-17,24H,3-13,22-23H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t15-,16-,17-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118645 (2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCN)C(O)=O Show InChI InChI=1S/C20H39N5O6/c1-13(2)12-16(24-17(26)8-7-14(22)19(28)29)18(27)25-15(20(30)31)6-3-4-10-23-11-5-9-21/h13-16,23H,3-12,21-22H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t14-,15-,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118645 (2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCN)C(O)=O Show InChI InChI=1S/C20H39N5O6/c1-13(2)12-16(24-17(26)8-7-14(22)19(28)29)18(27)25-15(20(30)31)6-3-4-10-23-11-5-9-21/h13-16,23H,3-12,21-22H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t14-,15-,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117547 (2-Amino-4-[3-methyl-1-(phosphonomethyl-carbamoyl)-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCP(O)(O)=O Show InChI InChI=1S/C12H24N3O7P/c1-7(2)5-9(11(17)14-6-23(20,21)22)15-10(16)4-3-8(13)12(18)19/h7-9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibition constant of the compound was evaluated against enzyme Glutathionylspermidine Synthetase wild-type enzyme				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117544 (2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-met...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O Show InChI InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibition constant of the compound was evaluated against enzyme Glutathionylspermidine Synthetase wild-type enzyme				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117544 (2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-met...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O Show InChI InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Concentration of the compound required for the inhibition of enzyme Glutathionylspermidine Synthetase wild-type enzyme				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50410310 (CHEMBL2079773) Show SMILES [O-]c1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)[N-]Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9H,1-2,10-12H2,(H2,23,26,27)/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Tibotec BVBA Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243470 (US9427440, 18) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O5S/c1-34-15-7-8-16-35(2)42(39,40)33-31(37)22-11-13-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)12-14-26(23)30(36)29(27)21-9-5-4-6-10-21/h11-14,17-19,21H,4-10,15-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243471 (US9427440, 19) Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C=C(Cn4c3c2)C1=O |c:36| Show InChI InChI=1S/C31H35FN4O5S/c1-34-12-14-41-15-13-35(2)42(39,40)33-30(37)21-8-10-26-27(18-21)36-19-23(31(34)38)16-22-17-24(32)9-11-25(22)29(36)28(26)20-6-4-3-5-7-20/h8-11,16-18,20H,3-7,12-15,19H2,1-2H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243472 (US9427440, 20) Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C(C)=C(Cn4c3c2)C1=O |c:37| Show InChI InChI=1S/C32H37FN4O5S/c1-20-26-18-23(33)10-12-24(26)30-29(21-7-5-4-6-8-21)25-11-9-22-17-28(25)37(30)19-27(20)32(39)35(2)13-15-42-16-14-36(3)43(40,41)34-31(22)38/h9-12,17-18,21H,4-8,13-16,19H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243468 (US9427440, 16) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=C(C)c2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |t:25| Show InChI InChI=1S/C33H40N4O6S/c1-21-27-19-24(42-4)11-13-25(27)31-30(22-8-6-5-7-9-22)26-12-10-23-18-29(26)37(31)20-28(21)33(39)35(2)14-16-43-17-15-36(3)44(40,41)34-32(23)38/h10-13,18-19,22H,5-9,14-17,20H2,1-4H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50410311 (CHEMBL2068731) Show SMILES CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)[CH-]C(=O)C([O-])=O Show InChI InChI=1S/C20H19O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11-13H,10H2,1-2H3,(H,23,24)/q-1/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422732 (CHEMBL424782) Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-2-1-7(5-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422734 (CHEMBL368301) Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl Show InChI InChI=1S/C17H9ClFN3O4/c18-8-5-7(1-2-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422722 (CHEMBL360752) Show SMILES Clc1cc(Cl)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243461 (US9427440, 13) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NC\C=C\CN(C)S(=O)(=O)NC5=O |c:25,t:35| Show InChI InChI=1S/C31H34N4O5S/c1-34-15-7-6-14-32-30(36)23-16-22-17-24(40-2)11-13-25(22)29-28(20-8-4-3-5-9-20)26-12-10-21(18-27(26)35(29)19-23)31(37)33-41(34,38)39/h6-7,10-13,16-18,20H,3-5,8-9,14-15,19H2,1-2H3,(H,32,36)(H,33,37)/b7-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422731 (CHEMBL425516) Show SMILES Brc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10BrN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422706 (CHEMBL367104) Show SMILES Clc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243457 (US9427440, 11) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O |(8.09,-.74,;7,-1.83,;5.51,-1.43,;4.5,-2.59,;2.99,-2.3,;2.49,-.84,;.95,-.84,;.05,-2.09,;.44,-3.57,;-.64,-4.66,;-.25,-6.15,;1.24,-6.55,;2.33,-5.46,;1.93,-3.97,;-1.42,-1.61,;-2.75,-2.38,;-4.09,-1.61,;-4.09,-.07,;-2.75,.7,;-1.42,-.07,;.05,.41,;.46,1.96,;1.87,2.57,;3.23,3.52,;3.23,1.84,;3.5,.32,;5.01,.02,;.78,3.65,;-.71,3.26,;1.25,4.55,;-.09,5.32,;-1.42,4.55,;-2.75,5.32,;-1.21,5.32,;.25,6.55,;-4.09,4.55,;-5.42,5.32,;-6.75,4.55,;-8.09,5.32,;-6.75,3.01,;-8.09,2.24,;-5.42,3.78,;-5.42,2.24,;-5.42,.7,;-6.75,-.07,)| Show InChI InChI=1S/C34H41N5O5S/c1-36-12-13-37-14-16-38(17-15-37)33(41)34-20-28(34)27-19-24(44-2)9-11-25(27)31-30(22-6-4-3-5-7-22)26-10-8-23(18-29(26)39(31)21-34)32(40)35-45(36,42)43/h8-11,18-19,22,28H,3-7,12-17,20-21H2,1-2H3,(H,35,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422718 (CHEMBL177640) Show SMILES Cc1ccc2c(O)c3C(=O)N(Cc4cccc(Br)c4)C(=O)c3c(O)c2n1 Show InChI InChI=1S/C19H13BrN2O4/c1-9-5-6-12-15(21-9)17(24)14-13(16(12)23)18(25)22(19(14)26)8-10-3-2-4-11(20)7-10/h2-7,23-24H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243460 (US9427440, 10) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCCCCN(C)S(=O)(=O)NC5=O Show InChI InChI=1S/C32H38N4O5S/c1-35-15-7-6-14-33-31(38)32-18-26(32)25-17-22(41-2)11-13-23(25)29-28(20-8-4-3-5-9-20)24-12-10-21(16-27(24)36(29)19-32)30(37)34-42(35,39)40/h10-13,16-17,20,26H,3-9,14-15,18-19H2,1-2H3,(H,33,38)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243458 (US9427440, 5) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NCCN1CCN(CC1)S(=O)(=O)NC5=O |c:25,(8.09,-.48,;7,-1.57,;5.51,-1.17,;4.5,-2.33,;2.99,-2.03,;2.49,-.57,;.95,-.57,;.05,-1.82,;.44,-3.31,;-.64,-4.4,;-.25,-5.88,;1.24,-6.28,;2.33,-5.19,;1.93,-3.71,;-1.42,-1.34,;-2.75,-2.11,;-4.09,-1.34,;-4.09,.2,;-2.75,.97,;-1.42,.2,;.05,.67,;.46,2.22,;1.87,2.83,;3.23,2.1,;3.5,.59,;5.01,.29,;.78,3.92,;-.71,3.52,;1.25,4.82,;-.09,5.59,;-1.42,4.82,;-2.75,5.59,;-4.09,4.82,;-5.42,5.59,;-6.75,4.82,;-5.31,6.28,;-4.29,5.59,;-6.75,3.28,;-8.09,2.51,;-5.42,4.05,;-5.42,2.51,;-5.42,.97,;-6.75,.2,)| Show InChI InChI=1S/C32H37N5O5S/c1-42-25-8-10-26-23(18-25)17-24-20-37-28-19-22(7-9-27(28)29(30(26)37)21-5-3-2-4-6-21)32(39)34-43(40,41)36-15-13-35(14-16-36)12-11-33-31(24)38/h7-10,17-19,21H,2-6,11-16,20H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422733 (CHEMBL414654) Show SMILES Fc1ccc(Br)cc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H9BrFN3O4/c18-8-1-2-9(19)7(5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422697 (CHEMBL362252) Show SMILES Fc1cc(F)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H9F2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422703 (CHEMBL366982) Show SMILES Oc1c2C(=O)N(Cc3cccc(Br)c3)C(=O)c2c(O)c2ncccc12 Show InChI InChI=1S/C18H11BrN2O4/c19-10-4-1-3-9(7-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)5-2-6-20-14/h1-7,22-23H,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243455 (US9427440, 2) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422699 (CHEMBL369841) Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422711 (CHEMBL360274) Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C17H10FN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422700 (CHEMBL177515) Show SMILES COc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1OC Show InChI InChI=1S/C19H15N3O6/c1-27-10-5-3-4-9(17(10)28-2)8-22-18(25)11-12(19(22)26)16(24)14-13(15(11)23)20-6-7-21-14/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422704 (CHEMBL177215) Show SMILES COc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c(OC)c1 Show InChI InChI=1S/C19H15N3O6/c1-27-10-4-3-9(11(7-10)28-2)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422721 (CHEMBL177622) Show SMILES FC(F)(F)c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)9-3-1-2-8(6-9)7-24-16(27)10-11(17(24)28)15(26)13-12(14(10)25)22-4-5-23-13/h1-6,22-23H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422728 (CHEMBL424780) Show SMILES Fc1cc(Br)ccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H9BrFN3O4/c18-8-2-1-7(9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422702 (CHEMBL174793) Show SMILES Fc1ccccc1-c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C23H14FN3O4/c24-15-7-2-1-6-14(15)13-5-3-4-12(10-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-8-9-26-19/h1-10,25-26H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243462 (US9427440, 3) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3C[C@@H](Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |r| Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair

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