Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'murugesan' and Initial = 's'   

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
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320792 (CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...) Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320791 (6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320793 (CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...) Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320794 (CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...) Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320790 (4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320791 (6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320792 (CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...) Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	5.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320792 (CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...) Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320791 (6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320793 (CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...) Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320794 (CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...) Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320789 (CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...) Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320790 (4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320789 (CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...) Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB KEGG 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	20.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320792 (CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...) Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	23.8	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB 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	25	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320793 (CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...) Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320791 (6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320794 (CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...) Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320790 (4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320792 (CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...) Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	68.3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	80.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320791 (6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320793 (CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...) Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320794 (CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...) Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320790 (4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...) Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320789 (CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...) Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50320789 (CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...) Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175341 (1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H22ClN3O4/c25-19-9-7-18(8-10-19)23(16-27-15-3-5-17-4-1-2-6-22(17)27)32-24(29)26-20-11-13-21(14-12-20)28(30)31/h1-2,4,6-14,23H,3,5,15-16H2,(H,26,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175333 (1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...) Show SMILES Cc1ccccc1NC(=O)OC(CN1CCCc2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN2O2/c1-18-7-2-4-10-22(18)27-25(29)30-24(20-12-14-21(26)15-13-20)17-28-16-6-9-19-8-3-5-11-23(19)28/h2-5,7-8,10-15,24H,6,9,16-17H2,1H3,(H,27,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175343 (Ethyl4-((1-(4-chlorophenyl)-2-(3,4-dihydroquinolin...) Show SMILES CCOC(=O)c1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H27ClN2O4/c1-2-33-26(31)21-11-15-23(16-12-21)29-27(32)34-25(20-9-13-22(28)14-10-20)18-30-17-5-7-19-6-3-4-8-24(19)30/h3-4,6,8-16,25H,2,5,7,17-18H2,1H3,(H,29,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192670 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-o-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3C)CCCc2c1 Show InChI InChI=1S/C24H31N3O2/c1-19-6-3-4-8-22(19)26-14-16-27(17-15-26)24(28)11-13-25-12-5-7-20-18-21(29-2)9-10-23(20)25/h3-4,6,8-10,18H,5,7,11-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192683 (1-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-(6-meth...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3cccc(Cl)c3Cl)CCCc2c1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-30-18-7-8-20-17(16-18)4-3-10-26(20)11-9-22(29)28-14-12-27(13-15-28)21-6-2-5-19(24)23(21)25/h2,5-8,16H,3-4,9-15H2,1H3	PDB MMDB UniProtKB/SwissProt 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
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175340 (1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...) Show SMILES [O-][N+](=O)c1cccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H22ClN3O4/c25-19-12-10-18(11-13-19)23(16-27-14-4-6-17-5-1-2-9-22(17)27)32-24(29)26-20-7-3-8-21(15-20)28(30)31/h1-3,5,7-13,15,23H,4,6,14,16H2,(H,26,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192678 (1-(4-(3-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3cccc(Cl)c3)CCCc2c1 Show InChI InChI=1S/C23H28ClN3O2/c1-29-21-7-8-22-18(16-21)4-3-10-26(22)11-9-23(28)27-14-12-25(13-15-27)20-6-2-5-19(24)17-20/h2,5-8,16-17H,3-4,9-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175339 (1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...) Show SMILES Clc1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H22Cl2N2O2/c25-19-9-7-18(8-10-19)23(30-24(29)27-21-13-11-20(26)12-14-21)16-28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23H,3,5,15-16H2,(H,27,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192669 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-ph...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3)CCCc2c1 Show InChI InChI=1S/C23H29N3O2/c1-28-21-9-10-22-19(18-21)6-5-12-25(22)13-11-23(27)26-16-14-24(15-17-26)20-7-3-2-4-8-20/h2-4,7-10,18H,5-6,11-17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192679 (1-(4-(4-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(Cl)cc3)CCCc2c1 Show InChI InChI=1S/C23H28ClN3O2/c1-29-21-8-9-22-18(17-21)3-2-11-26(22)12-10-23(28)27-15-13-25(14-16-27)20-6-4-19(24)5-7-20/h4-9,17H,2-3,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192671 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-p-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(C)cc3)CCCc2c1 Show InChI InChI=1S/C24H31N3O2/c1-19-5-7-21(8-6-19)25-14-16-27(17-15-25)24(28)11-13-26-12-3-4-20-18-22(29-2)9-10-23(20)26/h5-10,18H,3-4,11-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192677 (1-(4-(2-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3Cl)CCCc2c1 Show InChI InChI=1S/C23H28ClN3O2/c1-29-19-8-9-21-18(17-19)5-4-11-25(21)12-10-23(28)27-15-13-26(14-16-27)22-7-3-2-6-20(22)24/h2-3,6-9,17H,4-5,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175332 (1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...) Show SMILES Clc1ccc(cc1)C(CN1CCCc2ccccc12)OC(=O)Nc1ccccc1 Show InChI InChI=1S/C24H23ClN2O2/c25-20-14-12-19(13-15-20)23(29-24(28)26-21-9-2-1-3-10-21)17-27-16-6-8-18-7-4-5-11-22(18)27/h1-5,7,9-15,23H,6,8,16-17H2,(H,26,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175342 (Ethyl 2-((1-(4-chlorophenyl)-2-(3,4-dihydroquinoli...) Show SMILES CCOC(=O)c1ccccc1NC(=O)OC(CN1CCCc2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H27ClN2O4/c1-2-33-26(31)22-10-4-5-11-23(22)29-27(32)34-25(20-13-15-21(28)16-14-20)18-30-17-7-9-19-8-3-6-12-24(19)30/h3-6,8,10-16,25H,2,7,9,17-18H2,1H3,(H,29,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192675 (1-(4-(2-fluorophenyl) piperazin-1-yl)-3-(6-methoxy...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3F)CCCc2c1 Show InChI InChI=1S/C23H28FN3O2/c1-29-19-8-9-21-18(17-19)5-4-11-25(21)12-10-23(28)27-15-13-26(14-16-27)22-7-3-2-6-20(22)24/h2-3,6-9,17H,4-5,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM175338 (1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...) Show SMILES Fc1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H22ClFN2O2/c25-19-9-7-18(8-10-19)23(30-24(29)27-21-13-11-20(26)12-14-21)16-28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23H,3,5,15-16H2,(H,27,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 64: 66-73 (2016) Article DOI: 10.1016/j.bioorg.2015.12.005 BindingDB Entry DOI: 10.7270/Q2RB73CQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192682 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(p...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccn3)CCCc2c1 Show InChI InChI=1S/C22H28N4O2/c1-28-19-7-8-20-18(17-19)5-4-11-24(20)12-9-22(27)26-15-13-25(14-16-26)21-6-2-3-10-23-21/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192672 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(2...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3OC)CCCc2c1 Show InChI InChI=1S/C24H31N3O3/c1-29-20-9-10-21-19(18-20)6-5-12-25(21)13-11-24(28)27-16-14-26(15-17-27)22-7-3-4-8-23(22)30-2/h3-4,7-10,18H,5-6,11-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192673 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(3...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)CCN1CCCc2cc(OC)ccc12 Show InChI InChI=1S/C24H31N3O3/c1-29-21-7-3-6-20(18-21)25-13-15-27(16-14-25)24(28)10-12-26-11-4-5-19-17-22(30-2)8-9-23(19)26/h3,6-9,17-18H,4-5,10-16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair

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