Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'schön' and Initial = 'a'   

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
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052000 (10-(3-Trifluoromethyl-phenyl)-10H-benzo[g]pteridin...) Show SMILES FC(F)(F)c1cccc(c1)-n1c2ccccc2nc2c1nc(=O)[nH]c2=O Show InChI InChI=1S/C17H9F3N4O2/c18-17(19,20)9-4-3-5-10(8-9)24-12-7-2-1-6-11(12)21-13-14(24)22-16(26)23-15(13)25/h1-8H,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052014 (3-Methyl-10-(3-trifluoromethyl-phenyl)-10H-benzo[g...) Show SMILES Cn1c(=O)nc2n(-c3cccc(c3)C(F)(F)F)c3ccccc3nc2c1=O Show InChI InChI=1S/C18H11F3N4O2/c1-24-16(26)14-15(23-17(24)27)25(13-8-3-2-7-12(13)22-14)11-6-4-5-10(9-11)18(19,20)21/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50051997 (10-(4-Chloro-phenyl)-8-fluoro-3-methyl-10H-benzo[g...) Show SMILES Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(F)ccc3nc2c1=O Show InChI InChI=1S/C17H10ClFN4O2/c1-22-16(24)14-15(21-17(22)25)23(11-5-2-9(18)3-6-11)13-8-10(19)4-7-12(13)20-14/h2-8H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052004 (3-Methyl-10-phenyl-10H-benzo[g]pteridine-2,4-dione...) Show SMILES Cn1c(=O)nc2n(-c3ccccc3)c3ccccc3nc2c1=O Show InChI InChI=1S/C17H12N4O2/c1-20-16(22)14-15(19-17(20)23)21(11-7-3-2-4-8-11)13-10-6-5-9-12(13)18-14/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50051998 (3-Methyl-10-naphthalen-1-yl-10H-benzo[g]pteridine-...) Show SMILES Cn1c(=O)nc2n(-c3cccc4ccccc34)c3ccccc3nc2c1=O |(6.46,-6.99,;5.11,-6.23,;5.1,-4.68,;6.43,-3.89,;3.76,-3.92,;2.42,-4.69,;1.09,-3.95,;1.07,-2.41,;-.26,-1.65,;-.28,-.11,;1.06,.66,;2.41,-.08,;3.7,.67,;5.05,-.08,;5.05,-1.61,;3.73,-2.38,;2.41,-1.61,;-.25,-4.73,;-1.57,-3.96,;-2.91,-4.73,;-2.91,-6.27,;-1.57,-7.04,;-.25,-6.27,;1.1,-7.04,;2.44,-6.26,;3.79,-7.03,;3.8,-8.57,)| Show InChI InChI=1S/C21H14N4O2/c1-24-20(26)18-19(23-21(24)27)25(17-11-5-4-10-15(17)22-18)16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052001 (8-Azido-10-(4-chloro-phenyl)-3-methyl-10H-benzo[g]...) Show SMILES Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(ccc3nc2c1=O)N=[N+]=[N-] Show InChI InChI=1S/C17H10ClN7O2/c1-24-16(26)14-15(21-17(24)27)25(11-5-2-9(18)3-6-11)13-8-10(22-23-19)4-7-12(13)20-14/h2-8H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50051996 (3-Methyl-10-pyridin-4-yl-10H-benzo[g]pteridine-2,4...) Show SMILES Cn1c(=O)nc2n(-c3ccncc3)c3ccccc3nc2c1=O Show InChI InChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-6-8-17-9-7-10)12-5-3-2-4-11(12)18-13/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052006 (10-Pentafluorophenyl-10H-benzo[g]pteridine-2,4-dio...) Show SMILES Fc1c(F)c(F)c(c(F)c1F)-n1c2ccccc2nc2c1nc(=O)[nH]c2=O |(1.04,2.2,;1.06,.66,;2.4,-.07,;3.73,.69,;2.4,-1.63,;3.73,-2.4,;1.07,-2.4,;-.26,-1.65,;-1.59,-2.44,;-.28,-.11,;-1.62,.63,;1.09,-3.94,;-.25,-4.72,;-1.57,-3.95,;-2.91,-4.72,;-2.91,-6.26,;-1.57,-7.03,;-.25,-6.26,;1.1,-7.03,;2.44,-6.25,;2.41,-4.69,;3.76,-3.92,;5.1,-4.68,;6.42,-3.89,;5.11,-6.23,;3.78,-7.02,;3.79,-8.56,)| Show InChI InChI=1S/C16H5F5N4O2/c17-7-8(18)10(20)13(11(21)9(7)19)25-6-4-2-1-3-5(6)22-12-14(25)23-16(27)24-15(12)26/h1-4H,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052007 (10-(3,5-Bis-trifluoromethyl-phenyl)-10H-benzo[g]pt...) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-n1c2ccccc2nc2c1nc(=O)[nH]c2=O Show InChI InChI=1S/C18H8F6N4O2/c19-17(20,21)8-5-9(18(22,23)24)7-10(6-8)28-12-4-2-1-3-11(12)25-13-14(28)26-16(30)27-15(13)29/h1-7H,(H,27,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50051994 (10-Anthracen-1-yl-3-methyl-10H-benzo[g]pteridine-2...) Show SMILES Cn1c(=O)nc2n(-c3cccc4cc5ccccc5cc34)c3ccccc3nc2c1=O |(19.16,-12.07,;17.82,-11.33,;17.81,-9.76,;19.13,-8.98,;16.47,-9.02,;15.12,-9.79,;13.8,-9.03,;13.77,-7.52,;15.09,-6.75,;15.09,-5.21,;13.74,-4.46,;12.45,-5.21,;11.1,-4.47,;9.76,-5.26,;8.45,-4.5,;7.12,-5.27,;7.13,-6.81,;8.47,-7.57,;9.79,-6.78,;11.11,-7.54,;12.45,-6.75,;12.46,-9.82,;11.13,-9.05,;9.8,-9.82,;9.8,-11.36,;11.13,-12.13,;12.46,-11.36,;13.81,-12.13,;15.14,-11.34,;16.49,-12.11,;16.5,-13.65,)| Show InChI InChI=1S/C25H16N4O2/c1-28-24(30)22-23(27-25(28)31)29(21-11-5-4-10-19(21)26-22)20-12-6-9-17-13-15-7-2-3-8-16(15)14-18(17)20/h2-14H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052010 (10-(3,5-Bis-trifluoromethyl-phenyl)-3-methyl-10H-b...) Show SMILES Cn1c(=O)nc2n(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3nc2c1=O Show InChI InChI=1S/C19H10F6N4O2/c1-28-16(30)14-15(27-17(28)31)29(13-5-3-2-4-12(13)26-14)11-7-9(18(20,21)22)6-10(8-11)19(23,24)25/h2-8H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052013 (CHEMBL415870 | [10-(3,5-Dichloro-phenyl)-2,4-dioxo...) Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc2c1=O Show InChI InChI=1S/C20H14Cl2N4O4/c1-2-30-16(27)10-25-19(28)17-18(24-20(25)29)26(13-8-11(21)7-12(22)9-13)15-6-4-3-5-14(15)23-17/h3-9H,2,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052011 (CHEMBL38563 | [2,4-Dioxo-10-(3-trifluoromethyl-phe...) Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3cccc(c3)C(F)(F)F)c3ccccc3nc2c1=O Show InChI InChI=1S/C21H15F3N4O4/c1-2-32-16(29)11-27-19(30)17-18(26-20(27)31)28(15-9-4-3-8-14(15)25-17)13-7-5-6-12(10-13)21(22,23)24/h3-10H,2,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052002 (3-Methyl-10-pyridin-3-yl-10H-benzo[g]pteridine-2,4...) Show SMILES Cn1c(=O)nc2n(-c3cccnc3)c3ccccc3nc2c1=O Show InChI InChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-5-4-8-17-9-10)12-7-3-2-6-11(12)18-13/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052005 (CHEMBL289205 | [10-(4-Chloro-phenyl)-2,4-dioxo-4,1...) Show SMILES OC(=O)Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3nc2c1=O Show InChI InChI=1S/C18H11ClN4O4/c19-10-5-7-11(8-6-10)23-13-4-2-1-3-12(13)20-15-16(23)21-18(27)22(17(15)26)9-14(24)25/h1-8H,9H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052008 (CHEMBL414176 | [10-(3,5-Dichloro-phenyl)-2,4-dioxo...) Show SMILES OC(=O)Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc2c1=O Show InChI InChI=1S/C18H10Cl2N4O4/c19-9-5-10(20)7-11(6-9)24-13-4-2-1-3-12(13)21-15-16(24)22-18(28)23(17(15)27)8-14(25)26/h1-7H,8H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052012 (CHEMBL418250 | [10-(4-Chloro-phenyl)-2,4-dioxo-4,1...) Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3nc2c1=O Show InChI InChI=1S/C20H15ClN4O4/c1-2-29-16(26)11-24-19(27)17-18(23-20(24)28)25(13-9-7-12(21)8-10-13)15-6-4-3-5-14(15)22-17/h3-10H,2,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052009 (CHEMBL41209 | [2,4-Dioxo-10-(3-trifluoromethyl-phe...) Show SMILES OC(=O)Cn1c(=O)nc2n(-c3cccc(c3)C(F)(F)F)c3ccccc3nc2c1=O Show InChI InChI=1S/C19H11F3N4O4/c20-19(21,22)10-4-3-5-11(8-10)26-13-7-2-1-6-12(13)23-15-16(26)24-18(30)25(17(15)29)9-14(27)28/h1-8H,9H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333307 (CHEMBL1645291 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES Fc1cc(NC(=O)C(=O)NCc2ccccc2CN2CCOCC2)ccc1Cl Show InChI InChI=1S/C20H21ClFN3O3/c21-17-6-5-16(11-18(17)22)24-20(27)19(26)23-12-14-3-1-2-4-15(14)13-25-7-9-28-10-8-25/h1-6,11H,7-10,12-13H2,(H,23,26)(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50051995 (CHEMBL290019 | [10-(3,5-Bis-trifluoromethyl-phenyl...) Show SMILES OC(=O)Cn1c(=O)nc2n(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3nc2c1=O Show InChI InChI=1S/C20H10F6N4O4/c21-19(22,23)9-5-10(20(24,25)26)7-11(6-9)30-13-4-2-1-3-12(13)27-15-16(30)28-18(34)29(17(15)33)8-14(31)32/h1-7H,8H2,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333257 (CHEMBL1645242 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES CC(C)N1CCCCC1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H25ClFN3O2/c1-12(2)23-10-4-3-5-14(23)8-9-21-17(24)18(25)22-13-6-7-15(19)16(20)11-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H,21,24)(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333231 (CHEMBL1645267 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES OCCN1CCCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 Show InChI InChI=1S/C16H21ClFN3O3/c17-13-4-3-12(8-14(13)18)20-16(24)15(23)19-9-11-2-1-5-21(10-11)6-7-22/h3-4,8,11,22H,1-2,5-7,9-10H2,(H,19,23)(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333280 (CHEMBL1645112 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES CC1(C)CC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)N1 Show InChI InChI=1S/C18H25ClFN3O2/c1-17(2)8-11(9-18(3,4)23-17)10-21-15(24)16(25)22-12-5-6-13(19)14(20)7-12/h5-7,11,23H,8-10H2,1-4H3,(H,21,24)(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333236 (CHEMBL1645262 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES Fc1cc(NC(=O)C(=O)NCC2CCN(C2)C2CC2)ccc1Cl Show InChI InChI=1S/C16H19ClFN3O2/c17-13-4-1-11(7-14(13)18)20-16(23)15(22)19-8-10-5-6-21(9-10)12-2-3-12/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333233 (CHEMBL1645265 | N1-(4-chloro-3-fluorophenyl)-N2-(5...) Show SMILES Fc1cc(NC(=O)C(=O)NC2CCNC3(CCC3)C2)ccc1Cl Show InChI InChI=1S/C16H19ClFN3O2/c17-12-3-2-10(8-13(12)18)20-14(22)15(23)21-11-4-7-19-16(9-11)5-1-6-16/h2-3,8,11,19H,1,4-7,9H2,(H,20,22)(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50051999 (1-Methyl-4-(3-methyl-2,4-dioxo-3,4-dihydro-2H-benz...) Show SMILES Cn1c(=O)nc2n(-c3cc[n+](C)cc3)c3ccccc3nc2c1=O Show InChI InChI=1S/C17H14N5O2/c1-20-9-7-11(8-10-20)22-13-6-4-3-5-12(13)18-14-15(22)19-17(24)21(2)16(14)23/h3-10H,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333243 (CHEMBL1645256 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES Fc1cc(NC(=O)C(=O)NCC2NCCc3ccccc23)ccc1Cl Show InChI InChI=1S/C18H17ClFN3O2/c19-14-6-5-12(9-15(14)20)23-18(25)17(24)22-10-16-13-4-2-1-3-11(13)7-8-21-16/h1-6,9,16,21H,7-8,10H2,(H,22,24)(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333235 (CHEMBL1645263 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES Fc1cc(NC(=O)C(=O)NC2CCN(C2)C2CCCCC2)ccc1Cl Show InChI InChI=1S/C18H23ClFN3O2/c19-15-7-6-12(10-16(15)20)21-17(24)18(25)22-13-8-9-23(11-13)14-4-2-1-3-5-14/h6-7,10,13-14H,1-5,8-9,11H2,(H,21,24)(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333261 (CHEMBL1641635 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES CCCN1CCCC(C1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C16H21ClFN3O2/c1-2-7-21-8-3-4-12(10-21)20-16(23)15(22)19-11-5-6-13(17)14(18)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333237 ((R)-N1-(1-benzylpyrrolidin-3-yl)-N2-(4-chloro-3-fl...) Show SMILES Fc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl |r| Show InChI InChI=1S/C19H19ClFN3O2/c20-16-7-6-14(10-17(16)21)22-18(25)19(26)23-15-8-9-24(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,25)(H,23,26)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333240 (CHEMBL1645258 | N1-(4-chlorophenyl)-N2-((1-ethylpy...) Show SMILES CCN1CCCC1CNC(=O)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C15H20ClN3O2/c1-2-19-9-3-4-13(19)10-17-14(20)15(21)18-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333311 (CHEMBL1645287 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES Fc1cc(NC(=O)C(=O)NCC(N2CCCC2)c2ccc(Cl)cc2)ccc1Cl Show InChI InChI=1S/C20H20Cl2FN3O2/c21-14-5-3-13(4-6-14)18(26-9-1-2-10-26)12-24-19(27)20(28)25-15-7-8-16(22)17(23)11-15/h3-8,11,18H,1-2,9-10,12H2,(H,24,27)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333252 (CHEMBL1645247 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES Cc1n[nH]c(C)c1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C14H14ClFN4O2/c1-7-10(8(2)20-19-7)6-17-13(21)14(22)18-9-3-4-11(15)12(16)5-9/h3-5H,6H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333274 (CHEMBL1645118 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES CN1C(C)(C)CC(CC1(C)C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H25ClFN3O2/c1-17(2)9-12(10-18(3,4)23(17)5)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333244 (CHEMBL1645255 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES Fc1cc(NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)ccc1Cl |r| Show InChI InChI=1S/C16H19ClFN3O2/c17-12-4-3-11(6-13(12)18)21-15(23)14(22)20-9-16-5-1-2-10(16)7-19-8-16/h3-4,6,10,19H,1-2,5,7-9H2,(H,20,22)(H,21,23)/t10-,16+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333309 (CHEMBL1645289 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES CN1CCN(CC1)C(CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1Cl Show InChI InChI=1S/C21H23Cl2FN4O2/c1-27-8-10-28(11-9-27)19(15-4-2-3-5-16(15)22)13-25-20(29)21(30)26-14-6-7-17(23)18(24)12-14/h2-7,12,19H,8-11,13H2,1H3,(H,25,29)(H,26,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333241 (CHEMBL254781 | N-(4-chlorophenyl)-N'-(2,2,6,6-tetr...) Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333281 (CHEMBL1645111 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)21-15(24)14(23)20-10-5-6-12(18)13(19)7-10/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333232 (CHEMBL1645266 | N1-(4-chloro-3-fluorophenyl)-N2-(2...) Show SMILES C[C@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C17H23ClFN3O2/c1-11-4-3-5-12(2)22(11)9-8-20-16(23)17(24)21-13-6-7-14(18)15(19)10-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,23)(H,21,24)/t11-,12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333228 (CHEMBL1645270 | N1-(((4S,5S)-5-(aminomethyl)-2,2-d...) Show SMILES CC1(C)O[C@@H](CN)[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)O1 |r| Show InChI InChI=1S/C15H19ClFN3O4/c1-15(2)23-11(6-18)12(24-15)7-19-13(21)14(22)20-8-3-4-9(16)10(17)5-8/h3-5,11-12H,6-7,18H2,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333239 (CHEMBL1645259 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES CCN1CCCC1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C15H19ClFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-10-5-6-12(16)13(17)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50052003 (CHEMBL38355 | [10-(3,5-Bis-trifluoromethyl-phenyl)...) Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3nc2c1=O Show InChI InChI=1S/C22H14F6N4O4/c1-2-36-16(33)10-31-19(34)17-18(30-20(31)35)32(15-6-4-3-5-14(15)29-17)13-8-11(21(23,24)25)7-12(9-13)22(26,27)28/h3-9H,2,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie II der Universität Curated by ChEMBL					Assay Description Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG				J Med Chem 39: 1549-54 (1996) Article DOI: 10.1021/jm950511+ BindingDB Entry DOI: 10.7270/Q2F18XTZ
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333227 (CHEMBL1645271 | N1-(4-chloro-2-fluorophenyl)-N2-(2...) Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1F Show InChI InChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)20-14(23)15(24)21-13-6-5-10(18)7-12(13)19/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333229 (CHEMBL1645269 | N1-((5-tert-butyl-1H-pyrazol-3-yl)...) Show SMILES CC(C)(C)c1cc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[nH]n1 Show InChI InChI=1S/C16H18ClFN4O2/c1-16(2,3)13-7-10(21-22-13)8-19-14(23)15(24)20-9-4-5-11(17)12(18)6-9/h4-7H,8H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333230 (CHEMBL1645268 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES Fc1cc(NC(=O)C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)ccc1Cl |r| Show InChI InChI=1S/C18H23ClFN3O2/c19-14-7-6-13(10-15(14)20)22-18(25)17(24)21-11-12-4-3-9-23-8-2-1-5-16(12)23/h6-7,10,12,16H,1-5,8-9,11H2,(H,21,24)(H,22,25)/t12-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333234 (CHEMBL1645264 | N1-(4-chloro-3-fluorophenyl)-N2-((...) Show SMILES Fc1cc(NC(=O)C(=O)NCC2CCN(CCN3CCOCC3)C2)ccc1Cl Show InChI InChI=1S/C19H26ClFN4O3/c20-16-2-1-15(11-17(16)21)23-19(27)18(26)22-12-14-3-4-25(13-14)6-5-24-7-9-28-10-8-24/h1-2,11,14H,3-10,12-13H2,(H,22,26)(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333238 ((S)-N1-(1-benzylpyrrolidin-3-yl)-N2-(4-chloro-3-fl...) Show SMILES Fc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1Cl |r| Show InChI InChI=1S/C19H19ClFN3O2/c20-16-7-6-14(10-17(16)21)22-18(25)19(26)23-15-8-9-24(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,25)(H,23,26)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333242 (CHEMBL1645257 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES CC(NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C18H15ClFN3O4/c1-9(10-2-5-15-14(6-10)23-16(24)8-27-15)21-17(25)18(26)22-11-3-4-12(19)13(20)7-11/h2-7,9H,8H2,1H3,(H,21,25)(H,22,26)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333245 (CHEMBL1645254 | N1-(4-chloro-3-fluorophenyl)-N2-(4...) Show SMILES Cn1ccnc1C(O)(CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(F)(F)F Show InChI InChI=1S/C16H15ClF4N4O3/c1-25-7-6-23-14(25)15(28,16(19,20)21)4-5-22-12(26)13(27)24-9-2-3-10(17)11(18)8-9/h2-3,6-8,28H,4-5H2,1H3,(H,22,26)(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50333246 (CHEMBL1645253 | N1-(4-chloro-3-fluorophenyl)-N2-(1...) Show SMILES Fc1cc(NC(=O)C(=O)Nc2cccc3[nH]ncc23)ccc1Cl Show InChI InChI=1S/C15H10ClFN4O2/c16-10-5-4-8(6-11(10)17)19-14(22)15(23)20-12-2-1-3-13-9(12)7-18-21-13/h1-7H,(H,18,21)(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College Curated by ChEMBL					Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs				Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH
					More data for this Ligand-Target Pair

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