Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 1334   

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
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM10908 (3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5...) Show SMILES CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1 Show InChI InChI=1S/C19H26N2O/c1-7-16-14(4)20-19(22)18(21(5)6)17(16)11-15-9-12(2)8-13(3)10-15/h8-10H,7,11H2,1-6H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	37
Institut Curie					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 3949-62 (2000) Article DOI: 10.1021/jm0009437 BindingDB Entry DOI: 10.7270/Q2V12315
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM10903 (4-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-...) Show SMILES CCc1c(C)[nH]c(=O)c(c1Sc1cc(C)cc(C)c1)[N+]([O-])=O Show InChI InChI=1S/C16H18N2O3S/c1-5-13-11(4)17-16(19)14(18(20)21)15(13)22-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	8.0	37
Institut Curie					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 3949-62 (2000) Article DOI: 10.1021/jm0009437 BindingDB Entry DOI: 10.7270/Q2V12315
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM10905 (3-Amino-4-(3,5-dimethylbenzyl)-5-ethyl-6-methylpyr...) Show SMILES CCc1c(C)[nH]c(=O)c(N)c1Cc1cc(C)cc(C)c1 Show InChI InChI=1S/C17H22N2O/c1-5-14-12(4)19-17(20)16(18)15(14)9-13-7-10(2)6-11(3)8-13/h6-8H,5,9,18H2,1-4H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	37
Institut Curie					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 3949-62 (2000) Article DOI: 10.1021/jm0009437 BindingDB Entry DOI: 10.7270/Q2V12315
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM10906 (3-Amino-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methylpy...) Show SMILES CCc1c(C)[nH]c(=O)c(N)c1C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C17H20N2O2/c1-5-13-11(4)19-17(21)15(18)14(13)16(20)12-7-9(2)6-10(3)8-12/h6-8H,5,18H2,1-4H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	37
Institut Curie					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 3949-62 (2000) Article DOI: 10.1021/jm0009437 BindingDB Entry DOI: 10.7270/Q2V12315
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM10907 (4-(3,5-Dimethylbenzyl)-5-ethyl-3-formamido-6-methy...) Show SMILES CCc1c(C)[nH]c(=O)c(NC=O)c1Cc1cc(C)cc(C)c1 Show InChI InChI=1S/C18H22N2O2/c1-5-15-13(4)20-18(22)17(19-10-21)16(15)9-14-7-11(2)6-12(3)8-14/h6-8,10H,5,9H2,1-4H3,(H,19,21)(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	8.0	37
Institut Curie					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 3949-62 (2000) Article DOI: 10.1021/jm0009437 BindingDB Entry DOI: 10.7270/Q2V12315
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	8.0	37
Institut Curie					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 3949-62 (2000) Article DOI: 10.1021/jm0009437 BindingDB Entry DOI: 10.7270/Q2V12315
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM10904 (1-[(benzyloxy)methyl]-5-methyl-6-(phenylsulfanyl)-...) Show SMILES Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C19H18N2O3S/c1-14-17(22)20-19(23)21(13-24-12-15-8-4-2-5-9-15)18(14)25-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	8.0	37
Institut Curie					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 3949-62 (2000) Article DOI: 10.1021/jm0009437 BindingDB Entry DOI: 10.7270/Q2V12315
					More data for this Ligand-Target Pair