Compile Data Set for Download or QSAR

Found 4222 hits with Last Name = 'wiles' and Initial = 'ja'   

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
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178926 (9-cyclopropyl-6-fluoro-7-(piperazin-1-yl)isothiazo...) Show SMILES Fc1cc2c(cc1N1CCNCC1)n(C1CC1)c1s[nH]c(=O)c1c2=O Show InChI InChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178928 (7-(3-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...) Show SMILES NCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-22)24(12-4-5-12)20-17(18(14)25)19(26)23-27-20/h1-3,6-8,12H,4-5,9,22H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178922 (7-(4-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...) Show SMILES NCc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-10(9-22)2-4-11)24(12-5-6-12)20-17(18(14)25)19(26)23-27-20/h1-4,7-8,12H,5-6,9,22H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50180009 (7-(2,6-dimethylpyridin-4-yl)-9-ethyl-1-thia-2,4a-d...) Show SMILES CCc1c2s[nH]c(=O)c2c(=O)n2ccc(cc12)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C19H17N3O2S/c1-4-14-15-9-12(13-7-10(2)20-11(3)8-13)5-6-22(15)19(24)16-17(14)25-21-18(16)23/h5-9H,4H2,1-3H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922				J Med Chem 49: 39-42 (2006) Article DOI: 10.1021/jm051066d BindingDB Entry DOI: 10.7270/Q24B30W3
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A (Staphylococcus aureus)	BDBM50178928 (7-(3-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...) Show SMILES NCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-22)24(12-4-5-12)20-17(18(14)25)19(26)23-27-20/h1-3,6-8,12H,4-5,9,22H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178924 (9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)isothiaz...) Show SMILES Oc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-2-1-3-11(23)6-9)22(10-4-5-10)19-16(17(13)24)18(25)21-26-19/h1-3,6-8,10,23H,4-5H2,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922				J Med Chem 49: 39-42 (2006) Article DOI: 10.1021/jm051066d BindingDB Entry DOI: 10.7270/Q24B30W3
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50131428 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...) Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB 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
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178923 (7-(3-amino-4-fluorophenyl)-9-cyclopropyl-6-fluoroi...) Show SMILES Nc1cc(ccc1F)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C19H13F2N3O2S/c20-12-4-1-8(5-14(12)22)10-7-15-11(6-13(10)21)17(25)16-18(26)23-27-19(16)24(15)9-2-3-9/h1,4-7,9H,2-3,22H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178919 (7-(4-aminophenyl)-9-cyclopropyl-6-fluoroisothiazol...) Show SMILES Nc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C19H14FN3O2S/c20-14-7-13-15(8-12(14)9-1-3-10(21)4-2-9)23(11-5-6-11)19-16(17(13)24)18(25)22-26-19/h1-4,7-8,11H,5-6,21H2,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A (Staphylococcus aureus)	BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) Show SMILES CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50180011 (9-ethyl-7-pyridin-4-yl-1-thia-2,4a-diaza-cyclopent...) Show SMILES CCc1c2s[nH]c(=O)c2c(=O)n2ccc(cc12)-c1ccncc1 Show InChI InChI=1S/C17H13N3O2S/c1-2-12-13-9-11(10-3-6-18-7-4-10)5-8-20(13)17(22)14-15(12)23-19-16(14)21/h3-9H,2H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922				J Med Chem 49: 39-42 (2006) Article DOI: 10.1021/jm051066d BindingDB Entry DOI: 10.7270/Q24B30W3
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50117914 (1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-...) Show SMILES COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A (Staphylococcus aureus)	BDBM50178926 (9-cyclopropyl-6-fluoro-7-(piperazin-1-yl)isothiazo...) Show SMILES Fc1cc2c(cc1N1CCNCC1)n(C1CC1)c1s[nH]c(=O)c1c2=O Show InChI InChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178918 (9-cyclopropyl-6-fluoro-7-(3-(hydroxymethyl)phenyl)...) Show SMILES OCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C20H15FN2O3S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-24)23(12-4-5-12)20-17(18(14)25)19(26)22-27-20/h1-3,6-8,12,24H,4-5,9H2,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A (Staphylococcus aureus)	BDBM50178912 (9-cyclopropyl-6-fluoro-7-(pyridin-3-yl)isothiazolo...) Show SMILES Fc1cc2c(cc1-c1cccnc1)n(C1CC1)c1s[nH]c(=O)c1c2=O Show InChI InChI=1S/C18H12FN3O2S/c19-13-6-12-14(7-11(13)9-2-1-5-20-8-9)22(10-3-4-10)18-15(16(12)23)17(24)21-25-18/h1-2,5-8,10H,3-4H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4				Bioorg Med Chem Lett 16: 1277-81 (2006) Article DOI: 10.1016/j.bmcl.2005.11.064 BindingDB Entry DOI: 10.7270/Q26D5SKN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) Show SMILES CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50045000 ((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922				J Med Chem 49: 39-42 (2006) Article DOI: 10.1021/jm051066d BindingDB Entry DOI: 10.7270/Q24B30W3
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50330327 ((R)-7-(3-(2-aminopropan-2-yl)pyrrolidin-1-yl)-9-cy...) Show SMILES COc1c(N2CC[C@H](C2)C(C)(C)N)c(F)cc2c1n(C1CC1)c1s[nH]c(=O)c1c2=O |r| Show InChI InChI=1S/C21H25FN4O3S/c1-21(2,23)10-6-7-25(9-10)16-13(22)8-12-15(18(16)29-3)26(11-4-5-11)20-14(17(12)27)19(28)24-30-20/h8,10-11H,4-7,9,23H2,1-3H3,(H,24,28)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild-type Staphylococcus aureus DNA gyrase assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophoresis ass...				J Med Chem 54: 3268-82 (2011) Article DOI: 10.1021/jm101604v BindingDB Entry DOI: 10.7270/Q28S4SRX
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50483850 (CHEMBL1774147) Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c(c1OC)n(C1CC1)c1s[nH]c(=O)c1c2=O)[C@H](C)N |r| Show InChI InChI=1S/C20H23FN4O3S/c1-9(22)10-5-6-24(8-10)16-13(21)7-12-15(18(16)28-2)25(11-3-4-11)20-14(17(12)26)19(27)23-29-20/h7,9-11H,3-6,8,22H2,1-2H3,(H,23,27)/t9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild-type Staphylococcus aureus DNA gyrase assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophoresis ass...				J Med Chem 54: 3268-82 (2011) Article DOI: 10.1021/jm101604v BindingDB Entry DOI: 10.7270/Q28S4SRX
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A (Staphylococcus aureus)	BDBM50178913 (7-(6-(aminomethyl)pyridin-3-yl)-9-cyclopropyl-6-fl...) Show SMILES NCc1ccc(cn1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C19H15FN4O2S/c20-14-5-13-15(6-12(14)9-1-2-10(7-21)22-8-9)24(11-3-4-11)19-16(17(13)25)18(26)23-27-19/h1-2,5-6,8,11H,3-4,7,21H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4				Bioorg Med Chem Lett 16: 1277-81 (2006) Article DOI: 10.1016/j.bmcl.2005.11.064 BindingDB Entry DOI: 10.7270/Q26D5SKN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178925 (9-cyclopropyl-6-fluoro-7-(3-(piperidin-2-yl)phenyl...) Show SMILES Fc1cc2c(cc1-c1cccc(c1)C1CCCCN1)n(C1CC1)c1s[nH]c(=O)c1c2=O Show InChI InChI=1S/C24H22FN3O2S/c25-18-11-17-20(28(15-7-8-15)24-21(22(17)29)23(30)27-31-24)12-16(18)13-4-3-5-14(10-13)19-6-1-2-9-26-19/h3-5,10-12,15,19,26H,1-2,6-9H2,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A (Staphylococcus aureus)	BDBM50131428 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...) Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A (Staphylococcus aureus)	BDBM50131428 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...) Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4				Bioorg Med Chem Lett 16: 1277-81 (2006) Article DOI: 10.1016/j.bmcl.2005.11.064 BindingDB Entry DOI: 10.7270/Q26D5SKN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178921 (9-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)isothiaz...) Show SMILES Oc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-1-5-11(23)6-2-9)22(10-3-4-10)19-16(17(13)24)18(25)21-26-19/h1-2,5-8,10,23H,3-4H2,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50178916 (9-cyclopropyl-6-fluoro-7-(4-(hydroxymethyl)phenyl)...) Show SMILES OCc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F Show InChI InChI=1S/C20H15FN2O3S/c21-15-7-14-16(8-13(15)11-3-1-10(9-24)2-4-11)23(12-5-6-12)20-17(18(14)25)19(26)22-27-20/h1-4,7-8,12,24H,5-6,9H2,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against wild type Escherichia coli gyrase				Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109055 (US9695205, 1) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r| Show InChI InChI=1S/C28H28ClF2N5O4/c1-15(37)21-13-35(23-8-7-19(10-20(21)23)34-28(40)33-18-5-6-18)14-25(38)36-12-17(30)9-24(36)27(39)32-11-16-3-2-4-22(29)26(16)31/h2-4,7-8,10,13,17-18,24H,5-6,9,11-12,14H2,1H3,(H,32,39)(H2,33,34,40)/t17-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109056 (US9695205, 2) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3nn[nH]n3)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109057 (US9695205, 3) Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r| Show InChI InChI=1S/C29H29ClFN5O4/c1-15(37)21-13-35(23-8-7-19(11-20(21)23)34-29(40)33-18-5-6-18)14-26(38)36-24-9-17(24)10-25(36)28(39)32-12-16-3-2-4-22(30)27(16)31/h2-4,7-8,11,13,17-18,24-25H,5-6,9-10,12,14H2,1H3,(H,32,39)(H2,33,34,40)/t17-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109058 (US9695205, 4) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3(C)CC3)cc12 |r| Show InChI InChI=1S/C29H30ClF2N5O4/c1-16(38)21-14-36(23-7-6-19(11-20(21)23)34-28(41)35-29(2)8-9-29)15-25(39)37-13-18(31)10-24(37)27(40)33-12-17-4-3-5-22(30)26(17)32/h3-7,11,14,18,24H,8-10,12-13,15H2,1-2H3,(H,33,40)(H2,34,35,41)/t18-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109059 (US9695205, 5) Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1cc(C(C)=O)c2cc(NC(=O)NC3CC3)ccc12)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C30H31ClFN5O4/c1-15(20-4-3-5-23(31)28(20)32)33-29(40)26-11-17-10-25(17)37(26)27(39)14-36-13-22(16(2)38)21-12-19(8-9-24(21)36)35-30(41)34-18-6-7-18/h3-5,8-9,12-13,15,17-18,25-26H,6-7,10-11,14H2,1-2H3,(H,33,40)(H2,34,35,41)/t15-,17-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109061 (US9695205, 6) Show SMILES CC(C)NC(=O)Nc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1 |r| Show InChI InChI=1S/C28H30ClF2N5O4/c1-15(2)33-28(40)34-19-7-8-23-20(10-19)21(16(3)37)13-35(23)14-25(38)36-12-18(30)9-24(36)27(39)32-11-17-5-4-6-22(29)26(17)31/h4-8,10,13,15,18,24H,9,11-12,14H2,1-3H3,(H,32,39)(H2,33,34,40)/t18-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109091 (US9695205, 7) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3ccon3)cc12 |r| Show InChI InChI=1S/C29H27ClF2N6O5/c1-16(39)22-14-37(24-6-5-19(10-21(22)24)35-29(42)34-12-20-7-8-43-36-20)15-26(40)38-13-18(31)9-25(38)28(41)33-11-17-3-2-4-23(30)27(17)32/h2-8,10,14,18,25H,9,11-13,15H2,1H3,(H,33,41)(H2,34,35,42)/t18-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109092 (US9695205, 8) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3ncccn3)cc12 |r| Show InChI InChI=1S/C30H28ClF2N7O4/c1-17(41)22-15-39(24-7-6-20(11-21(22)24)38-30(44)37-13-26-34-8-3-9-35-26)16-27(42)40-14-19(32)10-25(40)29(43)36-12-18-4-2-5-23(31)28(18)33/h2-9,11,15,19,25H,10,12-14,16H2,1H3,(H,36,43)(H2,37,38,44)/t19-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109093 (US9695205, 9) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC3)cc12 |r| Show InChI InChI=1S/C29H30ClF2N5O4/c1-17(38)22-15-36(24-8-7-20(12-21(22)24)34-29(41)35-9-2-3-10-35)16-26(39)37-14-19(31)11-25(37)28(40)33-13-18-5-4-6-23(30)27(18)32/h4-8,12,15,19,25H,2-3,9-11,13-14,16H2,1H3,(H,33,40)(H,34,41)/t19-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109094 (US9695205, 10) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r| Show InChI InChI=1S/C28H26F5N5O5/c1-14(39)19-12-37(21-8-7-17(10-18(19)21)35-27(42)34-16-5-6-16)13-24(40)38-11-15(29)9-22(38)26(41)36-20-3-2-4-23(25(20)30)43-28(31,32)33/h2-4,7-8,10,12,15-16,22H,5-6,9,11,13H2,1H3,(H,36,41)(H2,34,35,42)/t15-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109103 (US9695205, 11) Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r| Show InChI InChI=1S/C29H27F4N5O5/c1-14(39)19-12-37(21-8-7-17(11-18(19)21)35-28(42)34-16-5-6-16)13-25(40)38-22-9-15(22)10-23(38)27(41)36-20-3-2-4-24(26(20)30)43-29(31,32)33/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13H2,1H3,(H,36,41)(H2,34,35,42)/t15-,22-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109104 (US9695205, 12) Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC3)cc12 |r| Show InChI InChI=1S/C30H31ClFN5O4/c1-17(38)22-15-36(24-8-7-20(13-21(22)24)34-30(41)35-9-2-3-10-35)16-27(39)37-25-11-19(25)12-26(37)29(40)33-14-18-5-4-6-23(31)28(18)32/h4-8,13,15,19,25-26H,2-3,9-12,14,16H2,1H3,(H,33,40)(H,34,41)/t19-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109178 (US9695205, 13) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCC(F)(F)C3)cc12 |r| Show InChI InChI=1S/C29H28ClF4N5O4/c1-16(40)21-13-38(23-6-5-19(10-20(21)23)36-28(43)37-8-7-29(33,34)15-37)14-25(41)39-12-18(31)9-24(39)27(42)35-11-17-3-2-4-22(30)26(17)32/h2-6,10,13,18,24H,7-9,11-12,14-15H2,1H3,(H,35,42)(H,36,43)/t18-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109199 (US9695205, 14) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)OC3CC3)cc12 |r| Show InChI InChI=1S/C28H27ClF2N4O5/c1-15(36)21-13-34(23-8-5-18(10-20(21)23)33-28(39)40-19-6-7-19)14-25(37)35-12-17(30)9-24(35)27(38)32-11-16-3-2-4-22(29)26(16)31/h2-5,8,10,13,17,19,24H,6-7,9,11-12,14H2,1H3,(H,32,38)(H,33,39)/t17-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109358 (US9695205, 15) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)OCC3CC3)cc12 |r| Show InChI InChI=1S/C29H29ClF2N4O5/c1-16(37)22-13-35(24-8-7-20(10-21(22)24)34-29(40)41-15-17-5-6-17)14-26(38)36-12-19(31)9-25(36)28(39)33-11-18-3-2-4-23(30)27(18)32/h2-4,7-8,10,13,17,19,25H,5-6,9,11-12,14-15H2,1H3,(H,33,39)(H,34,40)/t19-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109385 (US9695205, 16) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r| Show InChI InChI=1S/C30H30ClF4N5O4/c1-17(41)22-14-39(24-7-6-20(11-21(22)24)37-29(44)38-9-3-8-30(34,35)16-38)15-26(42)40-13-19(32)10-25(40)28(43)36-12-18-4-2-5-23(31)27(18)33/h2,4-7,11,14,19,25H,3,8-10,12-13,15-16H2,1H3,(H,36,43)(H,37,44)/t19-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109391 (US9695205, 17) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r| Show InChI InChI=1S/C30H28F7N5O5/c1-16(43)20-13-41(22-7-6-18(11-19(20)22)38-28(46)40-9-3-8-29(33,34)15-40)14-25(44)42-12-17(31)10-23(42)27(45)39-21-4-2-5-24(26(21)32)47-30(35,36)37/h2,4-7,11,13,17,23H,3,8-10,12,14-15H2,1H3,(H,38,46)(H,39,45)/t17-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109393 (US9695205, 18) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r| Show InChI InChI=1S/C35H32ClF4N5O4/c1-20(46)26-17-44(29-11-10-22(15-25(26)29)41-34(49)43-13-5-12-35(39,40)19-43)18-31(47)45-16-21(37)14-30(45)33(48)42-28-9-4-7-24(32(28)38)23-6-2-3-8-27(23)36/h2-4,6-11,15,17,21,30H,5,12-14,16,18-19H2,1H3,(H,41,49)(H,42,48)/t21-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109466 (US9695205, 19) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)Nc3ccon3)cc12 |r| Show InChI InChI=1S/C28H25ClF2N6O5/c1-15(38)20-13-36(22-6-5-18(10-19(20)22)33-28(41)34-24-7-8-42-35-24)14-25(39)37-12-17(30)9-23(37)27(40)32-11-16-3-2-4-21(29)26(16)31/h2-8,10,13,17,23H,9,11-12,14H2,1H3,(H,32,40)(H2,33,34,35,41)/t17-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109468 (US9695205, 20) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(n2)C(F)(F)F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r| Show InChI InChI=1S/C29H28F6N6O4/c1-16(42)20-13-40(21-7-6-18(11-19(20)21)36-27(45)39-9-3-8-28(31,32)15-39)14-25(43)41-12-17(30)10-22(41)26(44)38-24-5-2-4-23(37-24)29(33,34)35/h2,4-7,11,13,17,22H,3,8-10,12,14-15H2,1H3,(H,36,45)(H,37,38,44)/t17-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109469 (US9695205, 21) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCC(F)(F)F)cc12 |r| Show InChI InChI=1S/C27H25ClF5N5O4/c1-14(39)19-11-37(21-6-5-17(8-18(19)21)36-26(42)35-13-27(31,32)33)12-23(40)38-10-16(29)7-22(38)25(41)34-9-15-3-2-4-20(28)24(15)30/h2-6,8,11,16,22H,7,9-10,12-13H2,1H3,(H,34,41)(H2,35,36,42)/t16-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109544 (US9695205, 22) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3Cc4cncnc4C3)cc12 |r| Show InChI InChI=1S/C31H28ClF2N7O4/c1-17(42)23-13-39(26-6-5-21(8-22(23)26)38-31(45)40-11-19-9-35-16-37-25(19)14-40)15-28(43)41-12-20(33)7-27(41)30(44)36-10-18-3-2-4-24(32)29(18)34/h2-6,8-9,13,16,20,27H,7,10-12,14-15H2,1H3,(H,36,44)(H,38,45)/t20-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM109545 (US9695205, 23) Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)Nc3cncnc3)cc12 |r| Show InChI InChI=1S/C29H26ClF2N7O4/c1-16(40)22-13-38(24-6-5-19(8-21(22)24)36-29(43)37-20-10-33-15-34-11-20)14-26(41)39-12-18(31)7-25(39)28(42)35-9-17-3-2-4-23(30)27(17)32/h2-6,8,10-11,13,15,18,25H,7,9,12,14H2,1H3,(H,35,42)(H2,36,37,43)/t18-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Achillion Pharmaceuticals, Inc. US Patent					Assay Description Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...				US Patent US9695205 (2017) BindingDB Entry DOI: 10.7270/Q2VQ30TH
					More data for this Ligand-Target Pair

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