Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50008282   

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)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517400 (CHEMBL4525390) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2CCCCc12)C#N Show InChI InChI=1S/C30H34N6O2/c1-19-15-22(17-31)16-20(2)27(19)38-29-25-5-3-4-6-26(25)34-30(35-29)33-24-11-13-36(14-12-24)18-21-7-9-23(10-8-21)28(32)37/h7-10,15-16,24H,3-6,11-14,18H2,1-2H3,(H2,32,37)(H,33,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517387 (CHEMBL4514678) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2COCc12)C#N Show InChI InChI=1S/C28H30N6O3/c1-17-11-20(13-29)12-18(2)25(17)37-27-23-15-36-16-24(23)32-28(33-27)31-22-7-9-34(10-8-22)14-19-3-5-21(6-4-19)26(30)35/h3-6,11-12,22H,7-10,14-16H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517395 (CHEMBL4570398) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccncc3)CC2)nc2COCc12)C#N Show InChI InChI=1S/C26H28N6O2/c1-17-11-20(13-27)12-18(2)24(17)34-25-22-15-33-16-23(22)30-26(31-25)29-21-5-9-32(10-6-21)14-19-3-7-28-8-4-19/h3-4,7-8,11-12,21H,5-6,9-10,14-16H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517407 (CHEMBL4594064) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2CCSc12)C#N Show InChI InChI=1S/C28H30N6O2S/c1-17-13-20(15-29)14-18(2)24(17)36-27-25-23(9-12-37-25)32-28(33-27)31-22-7-10-34(11-8-22)16-19-3-5-21(6-4-19)26(30)35/h3-6,13-14,22H,7-12,16H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517388 (CHEMBL4454996) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccncc3)CC2)nc2CCCCc12)C#N Show InChI InChI=1S/C28H32N6O/c1-19-15-22(17-29)16-20(2)26(19)35-27-24-5-3-4-6-25(24)32-28(33-27)31-23-9-13-34(14-10-23)18-21-7-11-30-12-8-21/h7-8,11-12,15-16,23H,3-6,9-10,13-14,18H2,1-2H3,(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517397 (CHEMBL4563462) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccncc3)CC2)nc2CCCc12)C#N Show InChI InChI=1S/C27H30N6O/c1-18-14-21(16-28)15-19(2)25(18)34-26-23-4-3-5-24(23)31-27(32-26)30-22-8-12-33(13-9-22)17-20-6-10-29-11-7-20/h6-7,10-11,14-15,22H,3-5,8-9,12-13,17H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517410 (CHEMBL4464437) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2CCCc12)C#N Show InChI InChI=1S/C29H32N6O2/c1-18-14-21(16-30)15-19(2)26(18)37-28-24-4-3-5-25(24)33-29(34-28)32-23-10-12-35(13-11-23)17-20-6-8-22(9-7-20)27(31)36/h6-9,14-15,23H,3-5,10-13,17H2,1-2H3,(H2,31,36)(H,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517389 (CHEMBL4474372) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2CCSc12)C#N Show InChI InChI=1S/C27H30N6O3S2/c1-17-13-20(15-28)14-18(2)24(17)36-26-25-23(9-12-37-25)31-27(32-26)30-21-7-10-33(11-8-21)16-19-3-5-22(6-4-19)38(29,34)35/h3-6,13-14,21H,7-12,16H2,1-2H3,(H2,29,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517409 (CHEMBL4557661) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2COCc12)C#N Show InChI InChI=1S/C28H31N5O4S/c1-18-12-21(14-29)13-19(2)26(18)37-27-24-16-36-17-25(24)31-28(32-27)30-22-8-10-33(11-9-22)15-20-4-6-23(7-5-20)38(3,34)35/h4-7,12-13,22H,8-11,15-17H2,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517411 (CHEMBL4451654) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2CCCCc12)C#N Show InChI InChI=1S/C29H34N6O3S/c1-19-15-22(17-30)16-20(2)27(19)38-28-25-5-3-4-6-26(25)33-29(34-28)32-23-11-13-35(14-12-23)18-21-7-9-24(10-8-21)39(31,36)37/h7-10,15-16,23H,3-6,11-14,18H2,1-2H3,(H2,31,36,37)(H,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517401 (CHEMBL4577248) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2CCCCc12)C#N Show InChI InChI=1S/C30H35N5O3S/c1-20-16-23(18-31)17-21(2)28(20)38-29-26-6-4-5-7-27(26)33-30(34-29)32-24-12-14-35(15-13-24)19-22-8-10-25(11-9-22)39(3,36)37/h8-11,16-17,24H,4-7,12-15,19H2,1-3H3,(H,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517406 (CHEMBL4561250) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2CCCc12)C#N Show InChI InChI=1S/C28H32N6O3S/c1-18-14-21(16-29)15-19(2)26(18)37-27-24-4-3-5-25(24)32-28(33-27)31-22-10-12-34(13-11-22)17-20-6-8-23(9-7-20)38(30,35)36/h6-9,14-15,22H,3-5,10-13,17H2,1-2H3,(H2,30,35,36)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517386 (CHEMBL4563214) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2COCc12)C#N Show InChI InChI=1S/C28H30N6O3/c1-17-10-20(13-29)11-18(2)25(17)37-27-23-15-36-16-24(23)32-28(33-27)31-22-6-8-34(9-7-22)14-19-4-3-5-21(12-19)26(30)35/h3-5,10-12,22H,6-9,14-16H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517385 (CHEMBL4570178) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2CSCc12)C#N Show InChI InChI=1S/C28H31N5O3S2/c1-18-12-21(14-29)13-19(2)26(18)36-27-24-16-37-17-25(24)31-28(32-27)30-22-8-10-33(11-9-22)15-20-4-6-23(7-5-20)38(3,34)35/h4-7,12-13,22H,8-11,15-17H2,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517396 (CHEMBL4586013) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2COCc12)C#N Show InChI InChI=1S/C27H28N6O4/c1-17-11-20(13-28)12-18(2)25(17)37-26-23-15-36-16-24(23)30-27(31-26)29-21-7-9-32(10-8-21)14-19-3-5-22(6-4-19)33(34)35/h3-6,11-12,21H,7-10,14-16H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517391 (CHEMBL4533242) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCSc12)C#N Show InChI InChI=1S/C28H30N6O2S/c1-17-12-20(15-29)13-18(2)24(17)36-27-25-23(8-11-37-25)32-28(33-27)31-22-6-9-34(10-7-22)16-19-4-3-5-21(14-19)26(30)35/h3-5,12-14,22H,6-11,16H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517413 (CHEMBL4553824) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2CCCCc12)C#N Show InChI InChI=1S/C29H32N6O3/c1-19-15-22(17-30)16-20(2)27(19)38-28-25-5-3-4-6-26(25)32-29(33-28)31-23-11-13-34(14-12-23)18-21-7-9-24(10-8-21)35(36)37/h7-10,15-16,23H,3-6,11-14,18H2,1-2H3,(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517412 (CHEMBL4545315) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCCCc12)C#N Show InChI InChI=1S/C30H34N6O2/c1-19-14-22(17-31)15-20(2)27(19)38-29-25-8-3-4-9-26(25)34-30(35-29)33-24-10-12-36(13-11-24)18-21-6-5-7-23(16-21)28(32)37/h5-7,14-16,24H,3-4,8-13,18H2,1-2H3,(H2,32,37)(H,33,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517403 (CHEMBL4437991) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2COCc12)C#N Show InChI InChI=1S/C27H30N6O4S/c1-17-11-20(13-28)12-18(2)25(17)37-26-23-15-36-16-24(23)31-27(32-26)30-21-7-9-33(10-8-21)14-19-3-5-22(6-4-19)38(29,34)35/h3-6,11-12,21H,7-10,14-16H2,1-2H3,(H2,29,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517390 (CHEMBL4570889) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccncc3)CC2)nc2CCSc12)C#N Show InChI InChI=1S/C26H28N6OS/c1-17-13-20(15-27)14-18(2)23(17)33-25-24-22(7-12-34-24)30-26(31-25)29-21-5-10-32(11-6-21)16-19-3-8-28-9-4-19/h3-4,8-9,13-14,21H,5-7,10-12,16H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517393 (CHEMBL4469840) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(N)cc3)CC2)nc2CSCc12)C#N Show InChI InChI=1S/C27H30N6OS/c1-17-11-20(13-28)12-18(2)25(17)34-26-23-15-35-16-24(23)31-27(32-26)30-22-7-9-33(10-8-22)14-19-3-5-21(29)6-4-19/h3-6,11-12,22H,7-10,14-16,29H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517408 (CHEMBL4546225) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2CSCc12)C#N Show InChI InChI=1S/C27H28N6O3S/c1-17-11-20(13-28)12-18(2)25(17)36-26-23-15-37-16-24(23)30-27(31-26)29-21-7-9-32(10-8-21)14-19-3-5-22(6-4-19)33(34)35/h3-6,11-12,21H,7-10,14-16H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517405 (CHEMBL4553083) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2CCSc12)C#N Show InChI InChI=1S/C28H31N5O3S2/c1-18-14-21(16-29)15-19(2)25(18)36-27-26-24(10-13-37-26)31-28(32-27)30-22-8-11-33(12-9-22)17-20-4-6-23(7-5-20)38(3,34)35/h4-7,14-15,22H,8-13,17H2,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517394 (CHEMBL4445956) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(NS(C)(=O)=O)cc3)CC2)nc2CSCc12)C#N Show InChI InChI=1S/C28H32N6O3S2/c1-18-12-21(14-29)13-19(2)26(18)37-27-24-16-38-17-25(24)31-28(32-27)30-22-8-10-34(11-9-22)15-20-4-6-23(7-5-20)33-39(3,35)36/h4-7,12-13,22,33H,8-11,15-17H2,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517404 (CHEMBL4464124) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2CCCc12)C#N Show InChI InChI=1S/C29H33N5O3S/c1-19-15-22(17-30)16-20(2)27(19)37-28-25-5-4-6-26(25)32-29(33-28)31-23-11-13-34(14-12-23)18-21-7-9-24(10-8-21)38(3,35)36/h7-10,15-16,23H,4-6,11-14,18H2,1-3H3,(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517402 (CHEMBL4526807) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2CCSc12)C#N Show InChI InChI=1S/C27H28N6O3S/c1-17-13-20(15-28)14-18(2)24(17)36-26-25-23(9-12-37-25)30-27(31-26)29-21-7-10-32(11-8-21)16-19-3-5-22(6-4-19)33(34)35/h3-6,13-14,21H,7-12,16H2,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517398 (CHEMBL4442432) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)nc2CCCc12)C#N Show InChI InChI=1S/C28H30N6O3/c1-18-14-21(16-29)15-19(2)26(18)37-27-24-4-3-5-25(24)31-28(32-27)30-22-10-12-33(13-11-22)17-20-6-8-23(9-7-20)34(35)36/h6-9,14-15,22H,3-5,10-13,17H2,1-2H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517399 (CHEMBL4436487) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCCc12)C#N Show InChI InChI=1S/C29H32N6O2/c1-18-13-21(16-30)14-19(2)26(18)37-28-24-7-4-8-25(24)33-29(34-28)32-23-9-11-35(12-10-23)17-20-5-3-6-22(15-20)27(31)36/h3,5-6,13-15,23H,4,7-12,17H2,1-2H3,(H2,31,36)(H,32,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517392 (CHEMBL4584556) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2CSCc12)C#N Show InChI InChI=1S/C27H30N6O3S2/c1-17-11-20(13-28)12-18(2)25(17)36-26-23-15-37-16-24(23)31-27(32-26)30-21-7-9-33(10-8-21)14-19-3-5-22(6-4-19)38(29,34)35/h3-6,11-12,21H,7-10,14-16H2,1-2H3,(H2,29,34,35)(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656 BindingDB Entry DOI: 10.7270/Q29P351Z
					More data for this Ligand-Target Pair