Compile Data Set for Download or QSAR

Found 3981 hits with Last Name = 'pais' and Initial = 'g'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103243 (4-{2-[2-(2-Acetylamino-3-carboxy-propionylamino)-p...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C34H48F2N7O16P/c1-15(2)11-21(28(37)51)41-32(55)22(12-18-5-7-19(8-6-18)34(35,36)60(57,58)59)43-30(53)20(9-10-25(45)46)40-33(56)24(14-27(49)50)42-29(52)16(3)38-31(54)23(13-26(47)48)39-17(4)44/h5-8,15-16,20-24H,9-14H2,1-4H3,(H2,37,51)(H,38,54)(H,39,44)(H,40,56)(H,41,55)(H,42,52)(H,43,53)(H,45,46)(H,47,48)(H,49,50)(H2,57,58,59)/t16?,20?,21?,22-,23?,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103235 (5-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C36H49N7O18/c1-15(2)9-21(30(37)53)41-34(57)22(11-18-5-7-25(61-14-29(51)52)19(10-18)36(59)60)43-32(55)20(6-8-26(45)46)40-35(58)24(13-28(49)50)42-31(54)16(3)38-33(56)23(12-27(47)48)39-17(4)44/h5,7,10,15-16,20-24H,6,8-9,11-14H2,1-4H3,(H2,37,53)(H,38,56)(H,39,44)(H,40,58)(H,41,57)(H,42,54)(H,43,55)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/t16?,20?,21?,22-,23?,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103240 (4-Carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naph...) Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103227 (6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...) Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103238 (3-Carboxymethoxy-naphthalene-2,7-dicarboxylic acid...) Show SMILES OC(=O)COc1cc2ccc(cc2cc1C(O)=O)C(O)=O Show InChI InChI=1S/C14H10O7/c15-12(16)6-21-11-5-7-1-2-8(13(17)18)3-9(7)4-10(11)14(19)20/h1-5H,6H2,(H,15,16)(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103234 (2-Carboxymethoxy-naphthalene-1,6-dicarboxylic acid...) Show SMILES OC(=O)COc1ccc2cc(ccc2c1C(O)=O)C(O)=O Show InChI InChI=1S/C14H10O7/c15-11(16)6-21-10-4-2-7-5-8(13(17)18)1-3-9(7)12(10)14(19)20/h1-5H,6H2,(H,15,16)(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103231 (CHEMBL98615 | Naphthalene-2,7-dicarboxylic acid) Show SMILES OC(=O)c1ccc2ccc(cc2c1)C(O)=O Show InChI InChI=1S/C12H8O4/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8/h1-6H,(H,13,14)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>3.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103242 (CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...) Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PubMed	>4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50125697 (4-(3,4-Bis-azidomethyl-phenyl)-2,4-dioxo-butyric a...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(CN=[N+]=[N-])c(CN=[N+]=[N-])c1 Show InChI InChI=1S/C12H10N6O4/c13-17-15-5-8-2-1-7(3-9(8)6-16-18-14)10(19)4-11(20)12(21)22/h1-3H,4-6H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50125697 (4-(3,4-Bis-azidomethyl-phenyl)-2,4-dioxo-butyric a...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(CN=[N+]=[N-])c(CN=[N+]=[N-])c1 Show InChI InChI=1S/C12H10N6O4/c13-17-15-5-8-2-1-7(3-9(8)6-16-18-14)10(19)4-11(20)12(21)22/h1-3H,4-6H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (3'processing)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50125701 (4-(5,8-Diazido-5,6,7,8-tetrahydro-naphthalen-2-yl)...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2C(CCC(N=[N+]=[N-])c2c1)N=[N+]=[N-] Show InChI InChI=1S/C14H12N6O4/c15-19-17-10-3-4-11(18-20-16)9-5-7(1-2-8(9)10)12(21)6-13(22)14(23)24/h1-2,5,10-11H,3-4,6H2,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50125699 (4-(1,3-Diazido-indan-5-yl)-2,4-dioxo-butyric acid ...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2C(CC(N=[N+]=[N-])c2c1)N=[N+]=[N-] Show InChI InChI=1S/C13H10N6O4/c14-18-16-9-4-10(17-19-15)8-3-6(1-2-7(8)9)11(20)5-12(21)13(22)23/h1-3,9-10H,4-5H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)				Bioorg Med Chem Lett 13: 1215-9 (2003) BindingDB Entry DOI: 10.7270/Q23J3CB7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50093435 ((Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tet...) Show SMILES Clc1ccc2[nH]cc(C(=O)CC(=O)c3nnn[nH]3)c2c1 Show InChI InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-3,5,14H,4H2,(H,15,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					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
Integrase (Human immunodeficiency virus 1)	BDBM50056891 (2-Hydroxy-benzoic acid N'-(2-hydroxy-benzoyl)-hydr...) Show SMILES Oc1ccccc1C(=O)NNC(=O)c1ccccc1O Show InChI InChI=1S/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50370120 (CHEMBL611459) Show SMILES OC(=O)C(=O)CC(=O)C1=CC=CC1 |c:10,t:8| Show InChI InChI=1S/C9H8O4/c10-7(5-8(11)9(12)13)6-3-1-2-4-6/h1-3H,4-5H2,(H,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					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
Complement factor D (Homo sapiens (Human))	BDBM109940 (US9695205, 24) Show SMILES NC(=O)c1nn(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/C33H30ClF4N7O4/c34-23-7-2-1-5-20(23)21-6-3-8-24(28(21)36)41-31(48)26-13-18(35)15-44(26)27(46)16-45-25-10-9-19(14-22(25)29(42-45)30(39)47)40-32(49)43-12-4-11-33(37,38)17-43/h1-3,5-10,14,18,26H,4,11-13,15-17H2,(H2,39,47)(H,40,49)(H,41,48)/t18-,26+/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))	BDBM109944 (US9695205, 25) Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)Nc3ccon3)cc12 |r| Show InChI InChI=1S/C26H21F5N8O6/c27-12-8-17(24(42)34-15-2-1-3-18(21(15)28)45-26(29,30)31)38(10-12)20(40)11-39-16-5-4-13(9-14(16)22(36-39)23(32)41)33-25(43)35-19-6-7-44-37-19/h1-7,9,12,17H,8,10-11H2,(H2,32,41)(H,34,42)(H2,33,35,37,43)/t12-,17+/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))	BDBM110039 (US9695205, 26) Show SMILES NC(=O)c1nn(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/C28H26F7N7O5/c29-14-9-19(25(45)38-17-3-1-4-20(22(17)30)47-28(33,34)35)41(11-14)21(43)12-42-18-6-5-15(10-16(18)23(39-42)24(36)44)37-26(46)40-8-2-7-27(31,32)13-40/h1,3-6,10,14,19H,2,7-9,11-13H2,(H2,36,44)(H,37,46)(H,38,45)/t14-,19+/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))	BDBM110040 (US9695205, 27) Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r| Show InChI InChI=1S/C29H27F6N7O5/c30-23-17(3-1-4-21(23)47-29(33,34)35)38-26(45)20-10-14-9-19(14)42(20)22(43)12-41-18-6-5-15(11-16(18)24(39-41)25(36)44)37-27(46)40-8-2-7-28(31,32)13-40/h1,3-6,11,14,19-20H,2,7-10,12-13H2,(H2,36,44)(H,37,46)(H,38,45)/t14-,19-,20+/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))	BDBM110042 (US9695205, 28) Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r| Show InChI InChI=1S/C34H31ClF3N7O4/c35-23-7-2-1-5-20(23)21-6-3-8-24(29(21)36)41-32(48)27-14-18-13-26(18)45(27)28(46)16-44-25-10-9-19(15-22(25)30(42-44)31(39)47)40-33(49)43-12-4-11-34(37,38)17-43/h1-3,5-10,15,18,26-27H,4,11-14,16-17H2,(H2,39,47)(H,40,49)(H,41,48)/t18-,26-,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

Displayed 1 to 50 (of 3981 total )  |  Next  |  Last  >>

Jump to: