Compile Data Set for Download or QSAR

Found 489 hits with Last Name = 'gonzalez' and Initial = 'e'   

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
Reverse transcriptase (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA-dNTP ternary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479681 (CHEMBL478258) Show SMILES [H][C@@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16+,18+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA binary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479681 (CHEMBL478258) Show SMILES [H][C@@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16+,18+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA-dNTP ternary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479681 (CHEMBL478258) Show SMILES [H][C@@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16+,18+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 free reverse transcriptase				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479680 (CHEMBL459082) Show SMILES [H][C@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA binary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA binary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 free reverse transcriptase				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479681 (CHEMBL478258) Show SMILES [H][C@@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16+,18+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA-dNTP ternary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479680 (CHEMBL459082) Show SMILES [H][C@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA-dNTP ternary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479681 (CHEMBL478258) Show SMILES [H][C@@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16+,18+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA binary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479680 (CHEMBL459082) Show SMILES [H][C@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 free reverse transcriptase				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479681 (CHEMBL478258) Show SMILES [H][C@@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16+,18+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant free reverse transcriptase K103N mutant expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA-dNTP ternary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479680 (CHEMBL459082) Show SMILES [H][C@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA-dNTP ternary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA-dNTP ternary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 free reverse transcriptase				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479680 (CHEMBL459082) Show SMILES [H][C@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA binary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase-DNA binary complex				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479680 (CHEMBL459082) Show SMILES [H][C@]1(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)C[C@]1([H])c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant free reverse transcriptase K103N mutant expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant free reverse transcriptase K103N mutant expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA binary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA binary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant free reverse transcriptase K103N mutant expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA-dNTP ternary complex expressed in Escherichia coli BL21				J Med Chem 52: 840-51 (2009) Article DOI: 10.1021/jm801330n BindingDB Entry DOI: 10.7270/Q22V2JXB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50151798 (CHEMBL186877 | [6-(2,4-Dichloro-phenyl)-2-(3,5-dim...) Show SMILES COc1cc(OC)cc(c1)-c1nc(N(C)C)c(CN(C)C)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H26Cl2N4O2/c1-28(2)13-19-21(18-8-7-15(24)11-20(18)25)26-22(27-23(19)29(3)4)14-9-16(30-5)12-17(10-14)31-6/h7-12H,13H2,1-6H3	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory concentration against Dipeptidyl peptidase IV				Bioorg Med Chem Lett 14: 4759-62 (2004) Article DOI: 10.1016/j.bmcl.2004.06.099 BindingDB Entry DOI: 10.7270/Q2XK8F1Q
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485779 (CHEMBL2163850) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(cc1)C#N Show InChI InChI=1S/C25H20ClN3O3S/c1-15-9-16(2)11-20(10-15)33(31,32)24-21-12-19(26)7-8-22(21)29-23(24)25(30)28-14-18-5-3-17(13-27)4-6-18/h3-12,29H,14H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485778 (CHEMBL2163488) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccnc1 Show InChI InChI=1S/C23H20ClN3O3S/c1-14-8-15(2)10-18(9-14)31(29,30)22-19-11-17(24)5-6-20(19)27-21(22)23(28)26-13-16-4-3-7-25-12-16/h3-12,27H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485779 (CHEMBL2163850) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(cc1)C#N Show InChI InChI=1S/C25H20ClN3O3S/c1-15-9-16(2)11-20(10-15)33(31,32)24-21-12-19(26)7-8-22(21)29-23(24)25(30)28-14-18-5-3-17(13-27)4-6-18/h3-12,29H,14H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50485779 (CHEMBL2163850) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(cc1)C#N Show InChI InChI=1S/C25H20ClN3O3S/c1-15-9-16(2)11-20(10-15)33(31,32)24-21-12-19(26)7-8-22(21)29-23(24)25(30)28-14-18-5-3-17(13-27)4-6-18/h3-12,29H,14H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485781 (CHEMBL2163842) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccncc1 Show InChI InChI=1S/C23H20ClN3O3S/c1-14-9-15(2)11-18(10-14)31(29,30)22-19-12-17(24)3-4-20(19)27-21(22)23(28)26-13-16-5-7-25-8-6-16/h3-12,27H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM161942 (US9682991, 5) Show SMILES CN(C)C1CCN(CC1)c1nn2c(nnc2c2OCCN(C)c12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H26F3N7O2/c1-29(2)15-7-9-31(10-8-15)20-17-18(33-12-11-30(17)3)21-27-26-19(32(21)28-20)14-5-4-6-16(13-14)34-22(23,24)25/h4-6,13,15H,7-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III US Patent					Assay Description The biochemical assay to measure PIM-1 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of AD...				US Patent US9682991 (2017) BindingDB Entry DOI: 10.7270/Q2513WCB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50485778 (CHEMBL2163488) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccnc1 Show InChI InChI=1S/C23H20ClN3O3S/c1-14-8-15(2)10-18(9-14)31(29,30)22-19-11-17(24)5-6-20(19)27-21(22)23(28)26-13-16-4-3-7-25-12-16/h3-12,27H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50485781 (CHEMBL2163842) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccncc1 Show InChI InChI=1S/C23H20ClN3O3S/c1-14-9-15(2)11-18(10-14)31(29,30)22-19-12-17(24)3-4-20(19)27-21(22)23(28)26-13-16-5-7-25-8-6-16/h3-12,27H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50223140 (CHEMBL429828 | N-((R)-1-((R)-1-isopropyl-2-oxo-2,3...) Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C30H30F3N3O4/c1-19(2)36-25-14-8-6-10-20(25)16-17-23(29(36)39)34-28(38)24(35-27(37)21-11-4-3-5-12-21)18-22-13-7-9-15-26(22)40-30(31,32)33/h3-15,19,23-24H,16-18H2,1-2H3,(H,34,38)(H,35,37)/t23-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 6172-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.032 BindingDB Entry DOI: 10.7270/Q2X92B00
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485782 (CHEMBL2163845) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1cccnc1 Show InChI InChI=1S/C24H22ClN3O3S/c1-15-10-16(2)12-19(11-15)32(30,31)23-20-13-18(25)5-6-21(20)28-22(23)24(29)27-9-7-17-4-3-8-26-14-17/h3-6,8,10-14,28H,7,9H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM161946 (US9682991, 7) Show SMILES CN1CCOc2c1c(NCC1CC1)nn1c(nnc21)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H19F3N6O2/c1-27-7-8-29-15-14(27)16(23-10-11-5-6-11)26-28-17(24-25-18(15)28)12-3-2-4-13(9-12)30-19(20,21)22/h2-4,9,11H,5-8,10H2,1H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III US Patent					Assay Description The biochemical assay to measure PIM-1 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of AD...				US Patent US9682991 (2017) BindingDB Entry DOI: 10.7270/Q2513WCB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50223136 (CHEMBL249360 | N-((R)-1-((R)-7-chloro-1-isopropyl-...) Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O Show InChI InChI=1S/C30H27ClF5N3O3/c1-16(2)39-26-12-8-19(31)13-18(26)7-11-24(29(39)42)37-28(41)25(14-17-5-3-4-6-23(17)33)38-27(40)21-10-9-20(32)15-22(21)30(34,35)36/h3-6,8-10,12-13,15-16,24-25H,7,11,14H2,1-2H3,(H,37,41)(H,38,40)/t24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 6172-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.032 BindingDB Entry DOI: 10.7270/Q2X92B00
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485778 (CHEMBL2163488) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccnc1 Show InChI InChI=1S/C23H20ClN3O3S/c1-14-8-15(2)10-18(9-14)31(29,30)22-19-11-17(24)5-6-20(19)27-21(22)23(28)26-13-16-4-3-7-25-12-16/h3-12,27H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 | tert-butyl (R)-1-((R)-1-isopropyl-2...) Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 6172-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.032 BindingDB Entry DOI: 10.7270/Q2X92B00
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485780 (CHEMBL2163848) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1cccc(c1)C#N Show InChI InChI=1S/C24H18ClN3O3S/c1-14-8-15(2)10-19(9-14)32(30,31)23-20-12-17(25)6-7-21(20)28-22(23)24(29)27-18-5-3-4-16(11-18)13-26/h3-12,28H,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>40	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50485782 (CHEMBL2163845) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1cccnc1 Show InChI InChI=1S/C24H22ClN3O3S/c1-15-10-16(2)12-19(11-15)32(30,31)23-20-13-18(25)5-6-21(20)28-22(23)24(29)27-9-7-17-4-3-8-26-14-17/h3-6,8,10-14,28H,7,9H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50223139 (CHEMBL249358 | tert-butyl (R)-1-((R)-5-isopropyl-4...) Show SMILES CC(C)N1c2ccccc2OC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C27H32F3N3O6/c1-16(2)33-20-11-7-9-13-22(20)37-15-19(24(33)35)31-23(34)18(32-25(36)39-26(3,4)5)14-17-10-6-8-12-21(17)38-27(28,29)30/h6-13,16,18-19H,14-15H2,1-5H3,(H,31,34)(H,32,36)/t18-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 6172-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.032 BindingDB Entry DOI: 10.7270/Q2X92B00
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50485781 (CHEMBL2163842) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccncc1 Show InChI InChI=1S/C23H20ClN3O3S/c1-14-9-15(2)11-18(10-14)31(29,30)22-19-12-17(24)3-4-20(19)27-21(22)23(28)26-13-16-5-7-25-8-6-16/h3-12,27H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM161950 (US9682991, 9) Show SMILES CN1CCOc2c1c(NCc1ccc(F)cc1)nn1c(nnc21)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H18F4N6O2/c1-31-9-10-33-18-17(31)19(27-12-13-5-7-15(23)8-6-13)30-32-20(28-29-21(18)32)14-3-2-4-16(11-14)34-22(24,25)26/h2-8,11H,9-10,12H2,1H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III US Patent					Assay Description The biochemical assay to measure PIM-1 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of AD...				US Patent US9682991 (2017) BindingDB Entry DOI: 10.7270/Q2513WCB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50223150 (CHEMBL250756 | tert-butyl (R)-1-(9-isopropyl-8-oxo...) Show SMILES CC(C)N1c2ncccc2CCC(NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C27H33F3N4O5/c1-16(2)34-22-17(10-8-14-31-22)12-13-19(24(34)36)32-23(35)20(33-25(37)39-26(3,4)5)15-18-9-6-7-11-21(18)38-27(28,29)30/h6-11,14,16,19-20H,12-13,15H2,1-5H3,(H,32,35)(H,33,37)/t19?,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 6172-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.032 BindingDB Entry DOI: 10.7270/Q2X92B00
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate				J Med Chem 55: 6634-8 (2012) Article DOI: 10.1021/jm300477h BindingDB Entry DOI: 10.7270/Q24T6N7D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50223153 (4-fluoro-N-((R)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-t...) Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(F)cc2)C1=O Show InChI InChI=1S/C30H29F4N3O4/c1-18(2)37-25-9-5-3-7-19(25)13-16-23(29(37)40)35-28(39)24(36-27(38)20-11-14-22(31)15-12-20)17-21-8-4-6-10-26(21)41-30(32,33)34/h3-12,14-15,18,23-24H,13,16-17H2,1-2H3,(H,35,39)(H,36,38)/t23-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 6172-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.032 BindingDB Entry DOI: 10.7270/Q2X92B00
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 489 total )  |  Next  |  Last  >>

Jump to: