Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'magnus' and Initial = 'n'   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164242 (6-(5-Phenyl-2-piperidin-4-yl-3H-imidazol-4-yl)-1-(...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)C1CCNCC1 Show InChI InChI=1S/C24H28N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-9,14-15,17,26H,10-13H2,1-2H3,(H2,25,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164228 (1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1 Show InChI InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164240 (6-[5-(4-Fluoro-phenyl)-3H-imidazol-4-yl]-1-(propan...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc[nH]c1-c1ccc(F)cc1 Show InChI InChI=1S/C19H18FN5O2S/c1-11(2)28(26,27)25-16-9-13(5-8-15(16)24-19(25)21)18-17(22-10-23-18)12-3-6-14(20)7-4-12/h3-11H,1-2H3,(H2,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164236 (6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C Show InChI InChI=1S/C23H25F2N5O2S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25/h6-12H,1-5H3,(H2,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164230 (6-[5-(4-Fluoro-phenyl)-2-isopropyl-3H-imidazol-4-y...) Show SMILES CC(C)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C22H24FN5O2S/c1-12(2)21-26-19(14-5-8-16(23)9-6-14)20(27-21)15-7-10-17-18(11-15)28(22(24)25-17)31(29,30)13(3)4/h5-13H,1-4H3,(H2,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164239 (6-[2-Ethyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl]-1...) Show SMILES CCc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C21H22FN5O2S/c1-4-18-25-19(13-5-8-15(22)9-6-13)20(26-18)14-7-10-16-17(11-14)27(21(23)24-16)30(28,29)12(2)3/h5-12H,4H2,1-3H3,(H2,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164229 (6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...) Show SMILES CC(C)(C)c1nc(c([nH]1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)(C)C)-c1ccc(F)cc1F Show InChI InChI=1S/C24H27F2N5O2S/c1-23(2,3)21-29-19(20(30-21)15-9-8-14(25)12-16(15)26)13-7-10-17-18(11-13)31(22(27)28-17)34(32,33)24(4,5)6/h7-12H,1-6H3,(H2,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164232 (6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164231 (6-[2-(1-Isobutyl-piperidin-4-yl)-5-phenyl-3H-imida...) Show SMILES CC(C)CN1CCC(CC1)c1nc(c([nH]1)-c1ccccc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H36N6O2S/c1-18(2)17-33-14-12-21(13-15-33)27-31-25(20-8-6-5-7-9-20)26(32-27)22-10-11-23-24(16-22)34(28(29)30-23)37(35,36)19(3)4/h5-11,16,18-19,21H,12-15,17H2,1-4H3,(H2,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50164232 (6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 3A4				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164233 (6-(2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-y...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H21Cl2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164235 (6-[2-tert-Butyl-5-(4-fluoro-phenyl)-3H-imidazol-4-...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C Show InChI InChI=1S/C23H26FN5O2S/c1-13(2)32(30,31)29-18-12-15(8-11-17(18)26-22(29)25)20-19(14-6-9-16(24)10-7-14)27-21(28-20)23(3,4)5/h6-13H,1-5H3,(H2,25,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.9	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164234 (1-Cyclopentanesulfonyl-6-[2-(2,6-difluoro-phenyl)-...) Show SMILES Nc1nc2ccc(cc2n1S(=O)(=O)C1CCCC1)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C27H23F2N5O2S/c28-19-11-6-12-20(29)23(19)26-32-24(16-7-2-1-3-8-16)25(33-26)17-13-14-21-22(15-17)34(27(30)31-21)37(35,36)18-9-4-5-10-18/h1-3,6-8,11-15,18H,4-5,9-10H2,(H2,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164238 (6-[5-(4-Fluoro-phenyl)-3-methyl-3H-imidazol-4-yl]-...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1c(ncn1C)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5O2S/c1-12(2)29(27,28)26-17-10-14(6-9-16(17)24-20(26)22)19-18(23-11-25(19)3)13-4-7-15(21)8-5-13/h4-12H,1-3H3,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.7	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164237 (2-Amino-6-[2-(2,6-difluoro-phenyl)-5-phenyl-3H-imi...) Show SMILES CN(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C24H20F2N6O2S/c1-31(2)35(33,34)32-19-13-15(11-12-18(19)28-24(32)27)22-21(14-7-4-3-5-8-14)29-23(30-22)20-16(25)9-6-10-17(20)26/h3-13H,1-2H3,(H2,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22.8	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2894 (3,4-Dihydro-6-fluoro-4-(3-methylbutyn-1-yl)-4-(tri...) Show SMILES CC(C)C#CC1(NC(=O)Nc2ccc(F)cc12)C(F)(F)F Show InChI InChI=1S/C14H12F4N2O/c1-8(2)5-6-13(14(16,17)18)10-7-9(15)3-4-11(10)19-12(21)20-13/h3-4,7-8H,1-2H3,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2878 (4-(2-cyclopropylethynyl)-6-fluoro-4-(trifluorometh...) Show SMILES Fc1ccc2NC(=O)NC(C#CC3CC3)(c2c1)C(F)(F)F Show InChI InChI=1S/C14H10F4N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2880 (4-(1-Butyn-1-yl)-3,4-dihydro-6-fluoro-4-(trifluoro...) Show SMILES CCC#CC1(NC(=O)Nc2ccc(F)cc12)C(F)(F)F Show InChI InChI=1S/C13H10F4N2O/c1-2-3-6-12(13(15,16)17)9-7-8(14)4-5-10(9)18-11(20)19-12/h4-5,7H,2H2,1H3,(H2,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2881 (5-Chloro-4-(cyclopropylethynyl)-3,4-dihydro-6-fluo...) Show SMILES Fc1ccc2NC(=O)NC(C#CC3CC3)(c2c1Cl)C(F)(F)F Show InChI InChI=1S/C14H9ClF4N2O/c15-11-8(16)3-4-9-10(11)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2873 (4-(2-cyclopropylethynyl)-5-fluoro-4-(trifluorometh...) Show SMILES Fc1cccc2NC(=O)NC(C#CC3CC3)(c12)C(F)(F)F Show InChI InChI=1S/C14H10F4N2O/c15-9-2-1-3-10-11(9)13(14(16,17)18,20-12(21)19-10)7-6-8-4-5-8/h1-3,8H,4-5H2,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2879 (5,6-Difluoro-3.4-dihydro-4-[(2-pyridyl)ethynyl]-4-...) Show SMILES Fc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1F)C(F)(F)F Show InChI InChI=1S/C16H8F5N3O/c17-10-4-5-11-12(13(10)18)15(16(19,20)21,24-14(25)23-11)7-6-9-3-1-2-8-22-9/h1-5,8H,(H2,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2875 (5-Chloro-4-(cyclopropylethynyl)-3,4-dihydro-4-(tri...) Show SMILES FC(F)(F)C1(NC(=O)Nc2cccc(Cl)c12)C#CC1CC1 Show InChI InChI=1S/C14H10ClF3N2O/c15-9-2-1-3-10-11(9)13(14(16,17)18,20-12(21)19-10)7-6-8-4-5-8/h1-3,8H,4-5H2,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2872 (4-(1-Butyn-1-yl)-5,6-difuloro-3,4-dihydro-4-(trifl...) Show SMILES CCC#CC1(NC(=O)Nc2ccc(F)c(F)c12)C(F)(F)F Show InChI InChI=1S/C13H9F5N2O/c1-2-3-6-12(13(16,17)18)9-8(19-11(21)20-12)5-4-7(14)10(9)15/h4-5H,2H2,1H3,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2876 (4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoro...) Show SMILES Fc1ccc2NC(=O)NC(C#CC3CC3)(c2c1F)C(F)(F)F Show InChI InChI=1S/C14H9F5N2O/c15-8-3-4-9-10(11(8)16)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2874 (5-Chloro-3,4-dihydro-6-fluoro-4-(3-methylbutyn-1-y...) Show SMILES CC(C)C#CC1(NC(=O)Nc2ccc(F)c(Cl)c12)C(F)(F)F Show InChI InChI=1S/C14H11ClF4N2O/c1-7(2)5-6-13(14(17,18)19)10-9(20-12(22)21-13)4-3-8(16)11(10)15/h3-4,7H,1-2H3,(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2885 (5-Chloro-3,4-dihydro-6-fluoro-4-[(2-pyridyl)ethyny...) Show SMILES Fc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1Cl)C(F)(F)F Show InChI InChI=1S/C16H8ClF4N3O/c17-13-10(18)4-5-11-12(13)15(16(19,20)21,24-14(25)23-11)7-6-9-3-1-2-8-22-9/h1-5,8H,(H2,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2877 (5,6-Difluoro-3.4-dihydro-4-(3-methylbutyn-1-yl)-4-...) Show SMILES CC(C)C#CC1(NC(=O)Nc2ccc(F)c(F)c12)C(F)(F)F Show InChI InChI=1S/C14H11F5N2O/c1-7(2)5-6-13(14(17,18)19)10-9(20-12(22)21-13)4-3-8(15)11(10)16/h3-4,7H,1-2H3,(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2884 (6-Chloro-4-(cyclopropylethynyl)-3,4-dihydro-5-fluo...) Show SMILES Fc1c(Cl)ccc2NC(=O)NC(C#CC3CC3)(c12)C(F)(F)F Show InChI InChI=1S/C14H9ClF4N2O/c15-8-3-4-9-10(11(8)16)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2892 (4-(1-Butyn-1-yl)-6-chloro-3,4-dihydro-4-(trifluoro...) Show SMILES CCC#CC1(NC(=O)Nc2ccc(Cl)cc12)C(F)(F)F Show InChI InChI=1S/C13H10ClF3N2O/c1-2-3-6-12(13(15,16)17)9-7-8(14)4-5-10(9)18-11(20)19-12/h4-5,7H,2H2,1H3,(H2,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2886 (6-Chloro-4-(cyclopropylethynyl)-3,4-dihydro-4-(tri...) Show SMILES FC(F)(F)C1(NC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 Show InChI InChI=1S/C14H10ClF3N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2882 (4-(2-cyclopropylethynyl)-6-methoxy-4-(trifluoromet...) Show SMILES COc1ccc2NC(=O)NC(C#CC3CC3)(c2c1)C(F)(F)F Show InChI InChI=1S/C15H13F3N2O2/c1-22-10-4-5-12-11(8-10)14(15(16,17)18,20-13(21)19-12)7-6-9-2-3-9/h4-5,8-9H,2-3H2,1H3,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50164241 (6-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H27FN6O2S/c1-15(2)34(32,33)31-21-13-17(5-8-20(21)29-24(31)26)23-22(16-3-6-18(25)7-4-16)28-14-30(23)19-9-11-27-12-10-19/h3-8,13-15,19,27H,9-12H2,1-2H3,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2883 (3,4-Dihydro-6-fluoro-4-[(2-pyridyl)ethynyl]-4-(tri...) Show SMILES Fc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1)C(F)(F)F Show InChI InChI=1S/C16H9F4N3O/c17-10-4-5-13-12(9-10)15(16(18,19)20,23-14(24)22-13)7-6-11-3-1-2-8-21-11/h1-5,8-9H,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2891 (6-Chloro-3,4-dihydro-4-[(2-pyridyl)ethynyl]-4-(tri...) Show SMILES FC(F)(F)C1(NC(=O)Nc2ccc(Cl)cc12)C#Cc1ccccn1 Show InChI InChI=1S/C16H9ClF3N3O/c17-10-4-5-13-12(9-10)15(16(18,19)20,23-14(24)22-13)7-6-11-3-1-2-8-21-11/h1-5,8-9H,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2890 (3,4-Dihydro-6-fluoro-4-(phenylethynyl)-4-(trifluor...) Show SMILES Fc1ccc2NC(=O)NC(C#Cc3ccccc3)(c2c1)C(F)(F)F Show InChI InChI=1S/C17H10F4N2O/c18-12-6-7-14-13(10-12)16(17(19,20)21,23-15(24)22-14)9-8-11-4-2-1-3-5-11/h1-7,10H,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2895 (4-(Cyclopropylethynyl)-5,6-dichloro-3,4-dihydro-4-...) Show SMILES FC(F)(F)C1(NC(=O)Nc2ccc(Cl)c(Cl)c12)C#CC1CC1 Show InChI InChI=1S/C14H9Cl2F3N2O/c15-8-3-4-9-10(11(8)16)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2889 (5,6-Difluoro-3,4-dihydro-4-(phenylethynyl)-4-(trif...) Show SMILES Fc1ccc2NC(=O)NC(C#Cc3ccccc3)(c2c1F)C(F)(F)F Show InChI InChI=1S/C17H9F5N2O/c18-11-6-7-12-13(14(11)19)16(17(20,21)22,24-15(25)23-12)9-8-10-4-2-1-3-5-10/h1-7H,(H2,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2888 (3,4-Dihydro-6-methoxy-4-(phenylethynyl)-4-(trifluo...) Show SMILES COc1ccc2NC(=O)NC(C#Cc3ccccc3)(c2c1)C(F)(F)F Show InChI InChI=1S/C18H13F3N2O2/c1-25-13-7-8-15-14(11-13)17(18(19,20)21,23-16(24)22-15)10-9-12-5-3-2-4-6-12/h2-8,11H,1H3,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2897 (3,4-Dihydro-6-methoxy-4-[(2-pyridyl)ethynyl]-4-(tr...) Show SMILES COc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2/c1-25-12-5-6-14-13(10-12)16(17(18,19)20,23-15(24)22-14)8-7-11-4-2-3-9-21-11/h2-6,9-10H,1H3,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2893 (6-Chloro-3,4-dihydro-4-(phenylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)C1(NC(=O)Nc2ccc(Cl)cc12)C#Cc1ccccc1 Show InChI InChI=1S/C17H10ClF3N2O/c18-12-6-7-14-13(10-12)16(17(19,20)21,23-15(24)22-14)9-8-11-4-2-1-3-5-11/h1-7,10H,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2896 (6-Chloro-3,4-dihydro-4-(3-methylbutyn-1-yl)-4-(tri...) Show SMILES CC(C)C#CC1(NC(=O)Nc2ccc(Cl)cc12)C(F)(F)F Show InChI InChI=1S/C14H12ClF3N2O/c1-8(2)5-6-13(14(16,17)18)10-7-9(15)3-4-11(10)19-12(21)20-13/h3-4,7-8H,1-2H3,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	281	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2887 (3,4-Dihydro-6-methoxy-4-(3-methylbutyn-1-yl)-4-(tr...) Show SMILES COc1ccc2NC(=O)NC(C#CC(C)C)(c2c1)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O2/c1-9(2)6-7-14(15(16,17)18)11-8-10(22-3)4-5-12(11)19-13(21)20-14/h4-5,8-9H,1-3H3,(H2,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	401	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1944 (BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	422	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50164240 (6-[5-(4-Fluoro-phenyl)-3H-imidazol-4-yl]-1-(propan...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc[nH]c1-c1ccc(F)cc1 Show InChI InChI=1S/C19H18FN5O2S/c1-11(2)28(26,27)25-16-9-13(5-8-15(16)24-19(25)21)18-17(22-10-23-18)12-3-6-14(20)7-4-12/h3-11H,1-2H3,(H2,21,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Eli Lilly and Co. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 3A4				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50164228 (1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1 Show InChI InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 3A4				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50164239 (6-[2-Ethyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl]-1...) Show SMILES CCc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C21H22FN5O2S/c1-4-18-25-19(13-5-8-15(22)9-6-13)20(26-18)14-7-10-16-17(11-14)27(21(23)24-16)30(28,29)12(2)3/h5-12H,4H2,1-3H3,(H2,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 3A4				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 2019-30 (2000) Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50164231 (6-[2-(1-Isobutyl-piperidin-4-yl)-5-phenyl-3H-imida...) Show SMILES CC(C)CN1CCC(CC1)c1nc(c([nH]1)-c1ccccc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H36N6O2S/c1-18(2)17-33-14-12-21(13-15-33)27-31-25(20-8-6-5-7-9-20)26(32-27)22-10-11-23-24(16-22)34(28(29)30-23)37(35,36)19(3)4/h5-11,16,18-19,21H,12-15,17H2,1-4H3,(H2,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 3A4				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50164230 (6-[5-(4-Fluoro-phenyl)-2-isopropyl-3H-imidazol-4-y...) Show SMILES CC(C)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C22H24FN5O2S/c1-12(2)21-26-19(14-5-8-16(23)9-6-14)20(27-21)15-7-10-17-18(11-15)28(22(24)25-17)31(29,30)13(3)4/h5-13H,1-4H3,(H2,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 3A4				J Med Chem 48: 2270-3 (2005) Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869
					More data for this Ligand-Target Pair

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