Compile Data Set for Download or QSAR

Found 429 hits with Last Name = 'lee' and Initial = 'jm'   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.00230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220995 (CHEMBL77788) Show SMILES COc1ccc(\C=N\NC(C)=O)cc1OC1CCCC1 Show InChI InChI=1S/C15H20N2O3/c1-11(18)17-16-10-12-7-8-14(19-2)15(9-12)20-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,17,18)/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221005 (CHEMBL75684) Show SMILES CCC(=O)N\N=C(/C)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C17H24N2O3/c1-4-17(20)19-18-12(2)13-9-10-15(21-3)16(11-13)22-14-7-5-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,19,20)/b18-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220998 (CHEMBL76382) Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1 Show InChI InChI=1S/C14H19N3O2S/c1-18-12-7-6-10(9-16-17-14(15)20)8-13(12)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,20)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221003 (CHEMBL432348) Show SMILES COc1ccc(\C=N\NC(N)=O)cc1OC1CCCC1 Show InChI InChI=1S/C14H19N3O3/c1-19-12-7-6-10(9-16-17-14(15)18)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,18)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220997 (CHEMBL78237) Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(C)=O Show InChI InChI=1S/C16H22N2O3/c1-11(17-18-12(2)19)13-8-9-15(20-3)16(10-13)21-14-6-4-5-7-14/h8-10,14H,4-7H2,1-3H3,(H,18,19)/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221006 (CHEMBL77358) Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(N)=O Show InChI InChI=1S/C15H21N3O3/c1-10(17-18-15(16)19)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,19)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220999 (CHEMBL77745) Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\N=C(\N)S Show InChI InChI=1S/C15H21N3O2S/c1-10(17-18-15(16)21)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,21)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220996 (CHEMBL76635) Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(N)=O)\c1ccccc1 Show InChI InChI=1S/C20H23N3O3/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(22-23-20(21)24)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,24)/b22-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221004 (CHEMBL77999) Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])\c1ccccc1 Show InChI InChI=1S/C20H24N4O2/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(23-24-20(21)22)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H4,21,22,24)/b23-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221001 (CHEMBL76257) Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(C)=O)\c1ccccc1 Show InChI InChI=1S/C21H24N2O3/c1-15(24)22-23-21(16-8-4-3-5-9-16)17-12-13-19(25-2)20(14-17)26-18-10-6-7-11-18/h3-5,8-9,12-14,18H,6-7,10-11H2,1-2H3,(H,22,24)/b23-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220993 (CHEMBL78238) Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1 Show InChI InChI=1S/C20H23N3O2S/c1-24-17-12-11-15(13-18(17)25-16-9-5-6-10-16)19(22-23-20(21)26)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,26)/b22-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221007 (CHEMBL80258) Show SMILES CCC(=O)N\N=C\c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C16H22N2O3/c1-3-16(19)18-17-11-12-8-9-14(20-2)15(10-12)21-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221002 (CHEMBL306320) Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](\[#6])=[#7]\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C15H22N4O2/c1-10(18-19-15(16)17)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H4,16,17,19)/b18-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220994 (CHEMBL77177) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#7]\[#7]=[#6](/[#7])-[#7])cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C14H20N4O2/c1-19-12-7-6-10(9-17-18-14(15)16)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H4,15,16,18)/b17-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221000 (CHEMBL431962) Show SMILES CCC(=O)N\N=C(/c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C22H26N2O3/c1-3-21(25)23-24-22(16-9-5-4-6-10-16)17-13-14-19(26-2)20(15-17)27-18-11-7-8-12-18/h4-6,9-10,13-15,18H,3,7-8,11-12H2,1-2H3,(H,23,25)/b24-22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164644 (2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164642 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1CCC(O1)n1ccc(N)nc1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C10H18BF2N3O10P3/c11-29(23,26-28(21,22)10(12,13)27(18,19)20)24-5-6-1-2-8(25-6)16-4-3-7(14)15-9(16)17/h3-4,6,8H,1-2,5H2,11H3,(H,21,22)(H2,14,15,17)(H2,18,19,20)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164639 (2'-3'-dideoxy-7-deaza-guaninetriphosphate | CHEMBL...) Show SMILES NC1=NCc2c(ncn2[C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C1=O |t:1| Show InChI InChI=1S/C11H17N4O12P3/c12-11-10(16)9-7(3-13-11)15(5-14-9)8-2-1-6(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h5-6,8H,1-4H2,(H2,12,13)(H,20,21)(H,22,23)(H2,17,18,19)/t6-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164652 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1CC(C=C1)n1cnc2c1nc(N)[nH]c2=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O |c:8| Show InChI InChI=1S/C12H18BF2N5O9P3/c13-32(27,29-31(25,26)12(14,15)30(22,23)24)28-4-6-1-2-7(3-6)20-5-17-8-9(20)18-11(16)19-10(8)21/h1-2,5-7H,3-4H2,13H3,(H,25,26)(H2,22,23,24)(H3,16,18,19,21)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164654 (CHEMBL370031 | [[[4-(2-amino-6-oxo-3,9-dihydropuri...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:30| Show InChI InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t6?,7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164637 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1OC(C=C1)n1cc(C)c(=O)[nH]c1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O |c:8| Show InChI InChI=1S/C11H17BF2N2O11P3/c1-6-4-16(10(18)15-9(6)17)8-3-2-7(26-8)5-25-30(12,24)27-29(22,23)11(13,14)28(19,20)21/h2-4,7-8H,5H2,1,12H3,(H,22,23)(H,15,17,18)(H2,19,20,21)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164638 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1OC(CC1F)n1cc(C)c(=O)[nH]c1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C11H18BF3N2O11P3/c1-5-3-17(10(19)16-9(5)18)8-2-6(13)7(27-8)4-26-31(12,25)28-30(23,24)11(14,15)29(20,21)22/h3,6-8H,2,4H2,1,12H3,(H,23,24)(H,16,18,19)(H2,20,21,22)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164647 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1CCC(O1)n1cnc2c(N)ncnc12)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C11H18BF2N5O9P3/c12-31(25,28-30(23,24)11(13,14)29(20,21)22)26-3-6-1-2-7(27-6)19-5-18-8-9(15)16-4-17-10(8)19/h4-7H,1-3H2,12H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164650 (CHEMBL191725 | [[[3-fluoro-5-(5-methyl-2,4-dioxo-1...) Show SMILES Cc1cn([C@H]2C[C@H](F)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C10H16FN2O13P3/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164653 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1CCC(O1)n1cnc2c1cc(N)[nH]c2=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C12H19BF2N4O10P3/c13-32(26,29-31(24,25)12(14,15)30(21,22)23)27-4-6-1-2-9(28-6)19-5-17-10-7(19)3-8(16)18-11(10)20/h3,5-6,9H,1-2,4H2,13H3,(H,24,25)(H3,16,18,20)(H2,21,22,23)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50370476 (Combivir | ZIDOVUDINE TRIPHOSPHATE) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164640 (CHEMBL190609 | [[[[3-azido-5-(5-methyl-2,4-dioxo-1...) Show SMILES [BH3-]P(=O)(OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C11H18BF2N5O11P3/c1-5-3-19(10(21)16-9(5)20)8-2-6(17-18-15)7(29-8)4-28-33(12,27)30-32(25,26)11(13,14)31(22,23)24/h3,6-8H,2,4H2,1,12H3,(H,25,26)(H,16,20,21)(H2,22,23,24)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) Show SMILES Nc1ccn([C@@H]2CS[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164655 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1CCC(O1)n1cc(C)c(=O)[nH]c1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C11H19BF2N2O11P3/c1-6-4-16(10(18)15-9(6)17)8-3-2-7(26-8)5-25-30(12,24)27-29(22,23)11(13,14)28(19,20)21/h4,7-8H,2-3,5H2,1,12H3,(H,22,23)(H,15,17,18)(H2,19,20,21)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164651 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1OC(CS1)n1ccc(N)nc1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C9H16BF2N3O10P3S/c10-28(22,25-27(20,21)9(11,12)26(17,18)19)23-3-7-24-6(4-29-7)15-2-1-5(13)14-8(15)16/h1-2,6-7H,3-4H2,10H3,(H,20,21)(H2,13,14,16)(H2,17,18,19)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	314	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164656 (2',3'-Dideoxynucleoside5'-alpha-P-Borano-beta,gamm...) Show SMILES [BH3-]P(=O)(OCC1CCC(O1)n1ccc(=O)[nH]c1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C10H17BF2N2O11P3/c11-29(23,26-28(21,22)10(12,13)27(18,19)20)24-5-6-1-2-8(25-6)15-4-3-7(16)14-9(15)17/h3-4,6,8H,1-2,5H2,11H3,(H,21,22)(H,14,16,17)(H2,18,19,20)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164645 (CHEMBL192771 | [[[5-(4-amino-5-fluoro-2-oxo-1H-pyr...) Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CS[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 Show InChI InChI=1S/C8H13FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164646 (CHEMBL192371 | [[[5-(2,4-dioxo-1H-pyrimidin-1-yl)t...) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1CC[C@@H](O1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C9H15N2O13P3/c12-7-3-4-11(9(13)10-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H,10,12,13)(H2,14,15,16)/t6-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16436 (6,8-disulfanyloctanoic acid | D,L-Dihydrolipoic ac...) Show SMILES OC(=O)CCCCC(S)CCS Show InChI InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	950	-34.4	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [W220Y,C299A] (Homo sapiens (Human))	BDBM16429 (2,6-Dichlorophenylacetic acid | 2-(2,6-dichlorophe...) Show SMILES OC(=O)Cc1c(Cl)cccc1Cl Show InChI InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16417 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...) Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.50E+3	-33.2	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50164643 (({[({[5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimid...) Show SMILES [BH3-]P(=O)(OCC1OC(CS1)n1cc(F)c(N)nc1=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O Show InChI InChI=1S/C9H15BF3N3O10P3S/c10-29(23,26-28(21,22)9(12,13)27(18,19)20)24-2-6-25-5(3-30-6)16-1-4(11)7(14)15-8(16)17/h1,5-6H,2-3H2,10H3,(H,21,22)(H2,14,15,17)(H2,18,19,20)/q-1/p-3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16439 (3-{[1-(carboxymethyl)-2,5-dioxopyrrolidin-3-yl]sul...) Show SMILES CC(=O)NC(CSC1CC(=O)N(CC(O)=O)C1=O)C(O)=O Show InChI InChI=1S/C11H14N2O7S/c1-5(14)12-6(11(19)20)4-21-7-2-8(15)13(10(7)18)3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,16,17)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16428 (2,6-Difluorophenylacetic acid | 2-(2,6-difluorophe...) Show SMILES OC(=O)Cc1c(F)cccc1F Show InChI InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16426 (2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...) Show SMILES OC(=O)Cc1ccccc1O Show InChI InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	3.50E+3	-31.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16441 ((2S)-2-amino-4-{[(1R)-2-{[1-(carboxymethyl)-2,5-di...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC1CC(=O)N(CC(O)=O)C1=O)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H22N4O10S/c17-7(16(29)30)1-2-10(21)19-8(14(27)18-4-12(23)24)6-31-9-3-11(22)20(15(9)28)5-13(25)26/h7-9H,1-6,17H2,(H,18,27)(H,19,21)(H,23,24)(H,25,26)(H,29,30)/t7-,8-,9?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16429 (2,6-Dichlorophenylacetic acid | 2-(2,6-dichlorophe...) Show SMILES OC(=O)Cc1c(Cl)cccc1Cl Show InChI InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.40E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16431 (2-(naphthalen-2-yl)acetic acid | 2-Napthylacetic a...) Show SMILES OC(=O)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.20E+3	-29.7	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16440 (2-{3-[(2-amino-3-methoxy-3-oxopropyl)sulfanyl]-2,5...) Show SMILES COC(=O)C(N)CSC1CC(=O)N(CC(O)=O)C1=O Show InChI InChI=1S/C10H14N2O6S/c1-18-10(17)5(11)4-19-6-2-7(13)12(9(6)16)3-8(14)15/h5-6H,2-4,11H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [W220Y,C299A] (Homo sapiens (Human))	BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
					More data for this Ligand-Target Pair				3D Structure (docked)

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