Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'graber' and Initial = 'dr'   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50066924 (6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...) Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1 Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against E233V mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064008 (6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...) Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against L100I mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against E233V mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against L100I mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066930 (6-Chloro-2-(3-methyl-benzylsulfanyl)-pyrimidin-4-y...) Show SMILES Cc1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C12H12ClN3S/c1-8-3-2-4-9(5-8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066931 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066931 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066932 (6-Chloro-2-(3,4-dichloro-benzylsulfanyl)-pyrimidin...) Show SMILES Nc1cc(Cl)nc(SCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C11H8Cl3N3S/c12-7-2-1-6(3-8(7)13)5-18-11-16-9(14)4-10(15)17-11/h1-4H,5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066934 (6-Chloro-2-((E)-3-phenyl-allylsulfanyl)-pyrimidin-...) Show SMILES Nc1cc(Cl)nc(SC\C=C\c2ccccc2)n1 Show InChI InChI=1S/C13H12ClN3S/c14-11-9-12(15)17-13(16-11)18-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,15,16,17)/b7-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066937 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES CN(C)C(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C10H13ClN4OS/c1-15(2)9(16)4-3-5-17-10-13-7(11)6-8(12)14-10/h3-4,6H,5H2,1-2H3,(H2,12,13,14)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064008 (6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...) Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066924 (6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...) Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1 Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description inhibitory activity against HIV-1 reverse transcriptase (wild type				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066936 (2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-yl...) Show SMILES Nc1cc(Cl)nc(SCc2cccc(Br)c2)n1 Show InChI InChI=1S/C11H9BrClN3S/c12-8-3-1-2-7(4-8)6-17-11-15-9(13)5-10(14)16-11/h1-5H,6H2,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066927 (6-Chloro-2-(naphthalen-2-ylmethylsulfanyl)-pyrimid...) Show SMILES Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1 Show InChI InChI=1S/C15H12ClN3S/c16-13-8-14(17)19-15(18-13)20-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066925 (6-Chloro-2-(3-methoxy-benzylsulfanyl)-pyrimidin-4-...) Show SMILES COc1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C12H12ClN3OS/c1-17-9-4-2-3-8(5-9)7-18-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 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/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against Y181C mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066934 (6-Chloro-2-((E)-3-phenyl-allylsulfanyl)-pyrimidin-...) Show SMILES Nc1cc(Cl)nc(SC\C=C\c2ccccc2)n1 Show InChI InChI=1S/C13H12ClN3S/c14-11-9-12(15)17-13(16-11)18-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,15,16,17)/b7-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066937 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES CN(C)C(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C10H13ClN4OS/c1-15(2)9(16)4-3-5-17-10-13-7(11)6-8(12)14-10/h3-4,6H,5H2,1-2H3,(H2,12,13,14)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066928 (3-(4-Amino-6-chloro-pyrimidin-2-ylsulfanylmethyl)-...) Show SMILES COC(=O)c1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C13H12ClN3O2S/c1-19-12(18)9-4-2-3-8(5-9)7-20-13-16-10(14)6-11(15)17-13/h2-6H,7H2,1H3,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 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/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066930 (6-Chloro-2-(3-methyl-benzylsulfanyl)-pyrimidin-4-y...) Show SMILES Cc1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C12H12ClN3S/c1-8-3-2-4-9(5-8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066935 (2-(Naphthalen-2-ylmethylsulfanyl)-6-trifluoromethy...) Show SMILES Nc1cc(nc(SCc2ccc3ccccc3c2)n1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3S/c17-16(18,19)13-8-14(20)22-15(21-13)23-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066928 (3-(4-Amino-6-chloro-pyrimidin-2-ylsulfanylmethyl)-...) Show SMILES COC(=O)c1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C13H12ClN3O2S/c1-19-12(18)9-4-2-3-8(5-9)7-20-13-16-10(14)6-11(15)17-13/h2-6H,7H2,1H3,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against Y181C mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066935 (2-(Naphthalen-2-ylmethylsulfanyl)-6-trifluoromethy...) Show SMILES Nc1cc(nc(SCc2ccc3ccccc3c2)n1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3S/c17-16(18,19)13-8-14(20)22-15(21-13)23-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066927 (6-Chloro-2-(naphthalen-2-ylmethylsulfanyl)-pyrimid...) Show SMILES Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1 Show InChI InChI=1S/C15H12ClN3S/c16-13-8-14(17)19-15(18-13)20-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066932 (6-Chloro-2-(3,4-dichloro-benzylsulfanyl)-pyrimidin...) Show SMILES Nc1cc(Cl)nc(SCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C11H8Cl3N3S/c12-7-2-1-6(3-8(7)13)5-18-11-16-9(14)4-10(15)17-11/h1-4H,5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066929 (6-Chloro-2-(3,4-dihydro-naphthalen-1-ylmethylsulfa...) Show SMILES Nc1cc(Cl)nc(SCC2=CCCc3ccccc23)n1 |t:9| Show InChI InChI=1S/C15H14ClN3S/c16-13-8-14(17)19-15(18-13)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,6-8H,3,5,9H2,(H2,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066936 (2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-yl...) Show SMILES Nc1cc(Cl)nc(SCc2cccc(Br)c2)n1 Show InChI InChI=1S/C11H9BrClN3S/c12-8-3-1-2-7(4-8)6-17-11-15-9(13)5-10(14)16-11/h1-5H,6H2,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066926 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES COC(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C9H10ClN3O2S/c1-15-8(14)3-2-4-16-9-12-6(10)5-7(11)13-9/h2-3,5H,4H2,1H3,(H2,11,12,13)/b3-2+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066925 (6-Chloro-2-(3-methoxy-benzylsulfanyl)-pyrimidin-4-...) Show SMILES COc1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C12H12ClN3OS/c1-17-9-4-2-3-8(5-9)7-18-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066933 (2-Benzylsulfanyl-6-chloro-pyrimidin-4-ylamine | CH...) Show SMILES Nc1cc(Cl)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C11H10ClN3S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50009036 (2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesul...) Show SMILES CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OCC(C)C)c1C Show InChI InChI=1S/C21H25N3O3S2/c1-5-28-19-10-11-22-17(15(19)4)13-29(26)20-23-16-8-6-7-9-18(16)24(20)21(25)27-12-14(2)3/h6-11,14H,5,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase				J Med Chem 34: 1049-62 (1991) BindingDB Entry DOI: 10.7270/Q2Q23Z67
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066926 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES COC(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C9H10ClN3O2S/c1-15-8(14)3-2-4-16-9-12-6(10)5-7(11)13-9/h2-3,5H,4H2,1H3,(H2,11,12,13)/b3-2+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 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/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066933 (2-Benzylsulfanyl-6-chloro-pyrimidin-4-ylamine | CH...) Show SMILES Nc1cc(Cl)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C11H10ClN3S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50009045 (Acetic acid 2-(pyridin-2-ylmethanesulfinyl)-benzoi...) Show SMILES CC(=O)OCn1c(nc2ccccc12)S(=O)Cc1ccccn1 Show InChI InChI=1S/C16H15N3O3S/c1-12(20)22-11-19-15-8-3-2-7-14(15)18-16(19)23(21)10-13-6-4-5-9-17-13/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase				J Med Chem 34: 1049-62 (1991) BindingDB Entry DOI: 10.7270/Q2Q23Z67
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 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/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against Y181C mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50009032 (2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesul...) Show SMILES CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OCCCl)c1C Show InChI InChI=1S/C19H20ClN3O3S2/c1-3-27-17-8-10-21-15(13(17)2)12-28(25)18-22-14-6-4-5-7-16(14)23(18)19(24)26-11-9-20/h4-8,10H,3,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase				J Med Chem 34: 1049-62 (1991) BindingDB Entry DOI: 10.7270/Q2Q23Z67
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50009043 (2-(4-Ethylsulfanyl-3-methyl-pyridin-2-ylmethanesul...) Show SMILES CCSc1ccnc(CS(=O)c2nc3ccccc3n2C(=O)OC(C)(C)C(Cl)(Cl)Cl)c1C Show InChI InChI=1S/C21H22Cl3N3O3S2/c1-5-31-17-10-11-25-15(13(17)2)12-32(29)18-26-14-8-6-7-9-16(14)27(18)19(28)30-20(3,4)21(22,23)24/h6-11H,5,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase				J Med Chem 34: 1049-62 (1991) BindingDB Entry DOI: 10.7270/Q2Q23Z67
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066929 (6-Chloro-2-(3,4-dihydro-naphthalen-1-ylmethylsulfa...) Show SMILES Nc1cc(Cl)nc(SCC2=CCCc3ccccc23)n1 |t:9| Show InChI InChI=1S/C15H14ClN3S/c16-13-8-14(17)19-15(18-13)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,6-8H,3,5,9H2,(H2,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair

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