Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50004559   

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)	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	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2184 (SM30 | US8501787, 166) Show SMILES Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-18-23-19(16-11-5-6-12-17(16)21)20(24(14)18)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2173 (CW23836 | US8501787, 116) Show SMILES Clc1ccccc1-c1nc2cccc(C#N)n2c1NC1CCCCC1 Show InChI InChI=1S/C20H19ClN4/c21-17-11-5-4-10-16(17)19-20(23-14-7-2-1-3-8-14)25-15(13-22)9-6-12-18(25)24-19/h4-6,9-12,14,23H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2172 (DG 402-49748 | US8501787, 104) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCCC1 Show InChI InChI=1S/C19H19Cl2N3/c20-15-10-5-4-9-14(15)18-19(22-13-7-2-1-3-8-13)24-16(21)11-6-12-17(24)23-18/h4-6,9-13,22H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2115 (MLB133-641A | US8501787, 8) Show SMILES Clc1ccccc1-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C19H20ClN3/c20-16-11-5-4-10-15(16)18-19(21-14-8-2-1-3-9-14)23-13-7-6-12-17(23)22-18/h4-7,10-14,21H,1-3,8-9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2116 (DG 402-49706 | US8501787, 42) Show SMILES Clc1ccccc1-c1nc2cccc(Br)n2c1NC1CCCCC1 Show InChI InChI=1S/C19H19BrClN3/c20-16-11-6-12-17-23-18(14-9-4-5-10-15(14)21)19(24(16)17)22-13-7-2-1-3-8-13/h4-6,9-13,22H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2177 (SM27 | US8501787, 163) Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-11-12-18-23-19(16-9-5-6-10-17(16)21)20(24(18)13-14)22-15-7-3-2-4-8-15/h5-6,9-13,15,22H,2-4,7-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM99893 (US8501767, 96) Show SMILES Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N Show InChI InChI=1S/C20H19ClN4/c21-17-9-5-4-8-16(17)19-20(23-15-6-2-1-3-7-15)25-13-14(12-22)10-11-18(25)24-19/h4-5,8-11,13,15,23H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2182 (SM29 | US8501787, 165) Show SMILES Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-24-19(14)23-18(16-11-5-6-12-17(16)21)20(24)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2162 (DG 402-49754 | US8501787, 97) Show SMILES Clc1ccccc1-c1nc2ccc3ccccc3n2c1NC1CCCCC1 Show InChI InChI=1S/C23H22ClN3/c24-19-12-6-5-11-18(19)22-23(25-17-9-2-1-3-10-17)27-20-13-7-4-8-16(20)14-15-21(27)26-22/h4-8,11-15,17,25H,1-3,9-10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM99895 (US8501767, 81) Show SMILES Fc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H19ClFN3/c20-16-9-5-4-8-15(16)18-19(22-14-6-2-1-3-7-14)24-12-13(21)10-11-17(24)23-18/h4-5,8-12,14,22H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM99896 (US8501767, 99) Show SMILES Clc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCCC1 Show InChI InChI=1S/C19H19BrClN3/c20-13-10-11-17-23-18(15-8-4-5-9-16(15)21)19(24(17)12-13)22-14-6-2-1-3-7-14/h4-5,8-12,14,22H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM99894 (US8501767, 82) Show SMILES Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H19Cl2N3/c20-13-10-11-17-23-18(15-8-4-5-9-16(15)21)19(24(17)12-13)22-14-6-2-1-3-7-14/h4-5,8-12,14,22H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50484067 (CHEMBL1807349) Show SMILES Cc1c(Br)ccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl Show InChI InChI=1S/C20H21BrClN3/c1-13-16(21)11-12-18-24-19(15-9-5-6-10-17(15)22)20(25(13)18)23-14-7-3-2-4-8-14/h5-6,9-12,14,23H,2-4,7-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair