Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'tandon' and Initial = 'v'   

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
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	28.6	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476074 (Gentamicin | SCH-9724 | Uromycine) Show SMILES [H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC |r| Show InChI InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m110/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	445	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499576 (CHEMBL3741323) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(F)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H21FN2O4/c1-16(29)13-25-23-15-21(28(30)31)8-3-18(23)14-24(17-4-11-22(32-2)12-5-17)27(25)20-9-6-19(26)7-10-20/h3-12,14-15,25H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499565 (CHEMBL3740792) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(C)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H24N2O4/c1-17-4-9-21(10-5-17)27-25(19-7-12-23(32-3)13-8-19)15-20-6-11-22(28(30)31)16-24(20)26(27)14-18(2)29/h4-13,15-16,26H,14H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499576 (CHEMBL3741323) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(F)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H21FN2O4/c1-16(29)13-25-23-15-21(28(30)31)8-3-18(23)14-24(17-4-11-22(32-2)12-5-17)27(25)20-9-6-19(26)7-10-20/h3-12,14-15,25H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499565 (CHEMBL3740792) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(C)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H24N2O4/c1-17-4-9-21(10-5-17)27-25(19-7-12-23(32-3)13-8-19)15-20-6-11-22(28(30)31)16-24(20)26(27)14-18(2)29/h4-13,15-16,26H,14H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499568 (CHEMBL3739466) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(C[N+]([O-])=O)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C23H18ClFN2O3/c1-30-20-10-3-15(4-11-20)22-12-16-2-7-18(25)13-21(16)23(14-26(28)29)27(22)19-8-5-17(24)6-9-19/h2-13,23H,14H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499568 (CHEMBL3739466) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(C[N+]([O-])=O)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C23H18ClFN2O3/c1-30-20-10-3-15(4-11-20)22-12-16-2-7-18(25)13-21(16)23(14-26(28)29)27(22)19-8-5-17(24)6-9-19/h2-13,23H,14H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499572 (CHEMBL3739970) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H21FN2O5/c1-33-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-29)27(24)19-6-8-20(9-7-19)28(31)32/h2-13,25,29H,14-15H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499579 (CHEMBL3740311) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(cc1)C#N)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H21N3O4/c1-17(30)13-26-24-15-22(29(31)32)10-5-20(24)14-25(19-6-11-23(33-2)12-7-19)28(26)21-8-3-18(16-27)4-9-21/h3-12,14-15,26H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499579 (CHEMBL3740311) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(cc1)C#N)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H21N3O4/c1-17(30)13-26-24-15-22(29(31)32)10-5-20(24)14-25(19-6-11-23(33-2)12-7-19)28(26)21-8-3-18(16-27)4-9-21/h3-12,14-15,26H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499575 (CHEMBL3740012) Show SMILES [O-][N+](=O)CC1N(C(=Cc2ccc(cc12)[N+]([O-])=O)c1ccccc1)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C22H16ClN3O4/c23-17-7-10-18(11-8-17)25-21(15-4-2-1-3-5-15)12-16-6-9-19(26(29)30)13-20(16)22(25)14-24(27)28/h1-13,22H,14H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499575 (CHEMBL3740012) Show SMILES [O-][N+](=O)CC1N(C(=Cc2ccc(cc12)[N+]([O-])=O)c1ccccc1)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C22H16ClN3O4/c23-17-7-10-18(11-8-17)25-21(15-4-2-1-3-5-15)12-16-6-9-19(26(29)30)13-20(16)22(25)14-24(27)28/h1-13,22H,14H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499567 (CHEMBL3742287) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H23FN2O5/c1-16(30)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(34-2)12-5-17)28(25)20-7-9-21(10-8-20)29(32)33/h3-14,16,25,30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499567 (CHEMBL3742287) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H23FN2O5/c1-16(30)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(34-2)12-5-17)28(25)20-7-9-21(10-8-20)29(32)33/h3-14,16,25,30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499577 (CHEMBL3739763) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(O)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H22N2O5/c1-16(28)13-25-23-15-20(27(30)31)6-3-18(23)14-24(17-4-11-22(32-2)12-5-17)26(25)19-7-9-21(29)10-8-19/h3-12,14-15,25,29H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499578 (CHEMBL3739984) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C26H21FN2O3/c1-32-23-10-5-18(6-11-23)25-12-19-4-7-20(27)13-24(19)26(14-22(31)16-30)29(25)21-8-2-17(15-28)3-9-21/h2-13,26,30H,14,16H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499578 (CHEMBL3739984) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C26H21FN2O3/c1-32-23-10-5-18(6-11-23)25-12-19-4-7-20(27)13-24(19)26(14-22(31)16-30)29(25)21-8-2-17(15-28)3-9-21/h2-13,26,30H,14,16H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499577 (CHEMBL3739763) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(O)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H22N2O5/c1-16(28)13-25-23-15-20(27(30)31)6-3-18(23)14-24(17-4-11-22(32-2)12-5-17)26(25)19-7-9-21(29)10-8-19/h3-12,14-15,25,29H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499582 (CHEMBL3742037) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(F)cc1 |t:9| Show InChI InChI=1S/C26H23F2NO3/c1-16(30)26(31)15-25-23-14-20(28)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-7-19(27)8-10-21/h3-14,16,25,30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499582 (CHEMBL3742037) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(F)cc1 |t:9| Show InChI InChI=1S/C26H23F2NO3/c1-16(30)26(31)15-25-23-14-20(28)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-7-19(27)8-10-21/h3-14,16,25,30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476076 (CHEMBL219823) Show SMILES Cc1sc2c(n(C)c1O)c(=O)c1ccccc1c2=O Show InChI InChI=1S/C14H11NO3S/c1-7-14(18)15(2)10-11(16)8-5-3-4-6-9(8)12(17)13(10)19-7/h3-6,18H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499573 (CHEMBL3741789) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(C)cc1 |t:9| Show InChI InChI=1S/C27H26FNO3/c1-17-4-10-22(11-5-17)29-25(19-7-12-23(32-3)13-8-19)14-20-6-9-21(28)15-24(20)26(29)16-27(31)18(2)30/h4-15,18,26,30H,16H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499566 (CHEMBL3742275) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C26H23ClFNO3/c1-16(30)26(31)15-25-23-14-20(28)8-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-6-19(27)7-10-21/h3-14,16,25,30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499566 (CHEMBL3742275) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C26H23ClFNO3/c1-16(30)26(31)15-25-23-14-20(28)8-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-6-19(27)7-10-21/h3-14,16,25,30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499569 (CHEMBL3741160) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C25H22FNO3/c1-16(28)13-25-23-15-19(26)6-3-18(23)14-24(17-4-11-22(30-2)12-5-17)27(25)20-7-9-21(29)10-8-20/h3-12,14-15,25,29H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499573 (CHEMBL3741789) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(C)cc1 |t:9| Show InChI InChI=1S/C27H26FNO3/c1-17-4-10-22(11-5-17)29-25(19-7-12-23(32-3)13-8-19)14-20-6-9-21(28)15-24(20)26(29)16-27(31)18(2)30/h4-15,18,26,30H,16H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499569 (CHEMBL3741160) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C25H22FNO3/c1-16(28)13-25-23-15-19(26)6-3-18(23)14-24(17-4-11-22(30-2)12-5-17)27(25)20-7-9-21(29)10-8-20/h3-12,14-15,25,29H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499571 (CHEMBL3741987) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(C)cc1 |t:9| Show InChI InChI=1S/C26H24FNO3/c1-17-3-9-21(10-4-17)28-25(18-6-11-23(31-2)12-7-18)13-19-5-8-20(27)14-24(19)26(28)15-22(30)16-29/h3-14,26,29H,15-16H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499580 (CHEMBL3739597) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C25H21ClFNO3/c1-31-22-10-3-16(4-11-22)24-12-17-2-7-19(27)13-23(17)25(14-21(30)15-29)28(24)20-8-5-18(26)6-9-20/h2-13,25,29H,14-15H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499571 (CHEMBL3741987) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(C)cc1 |t:9| Show InChI InChI=1S/C26H24FNO3/c1-17-3-9-21(10-4-17)28-25(18-6-11-23(31-2)12-7-18)13-19-5-8-20(27)14-24(19)26(28)15-22(30)16-29/h3-14,26,29H,15-16H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476080 (CHEMBL387360) Show SMILES CCOC(=O)C(C)SC1=C(NCCO)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C17H19NO5S/c1-3-23-17(22)10(2)24-16-13(18-8-9-19)14(20)11-6-4-5-7-12(11)15(16)21/h4-7,10,18-19H,3,8-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476069 (CHEMBL221205) Show SMILES CCOC(=O)C(C)SC1=C(NC(C)(C)C)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C19H23NO4S/c1-6-24-18(23)11(2)25-17-14(20-19(3,4)5)15(21)12-9-7-8-10-13(12)16(17)22/h7-11,20H,6H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499580 (CHEMBL3739597) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C25H21ClFNO3/c1-31-22-10-3-16(4-11-22)24-12-17-2-7-19(27)13-23(17)25(14-21(30)15-29)28(24)20-8-5-18(26)6-9-20/h2-13,25,29H,14-15H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499570 (CHEMBL3740056) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C26H21FN2O2/c1-17(30)13-26-24-15-21(27)8-5-20(24)14-25(19-6-11-23(31-2)12-7-19)29(26)22-9-3-18(16-28)4-10-22/h3-12,14-15,26H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499583 (CHEMBL3741049) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C25H22FNO4/c1-31-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-28)27(24)19-6-8-20(29)9-7-19/h2-13,25,28-29H,14-15H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499581 (CHEMBL3740456) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C27H23FN2O3/c1-17(31)27(32)15-26-24-14-21(28)8-5-20(24)13-25(19-6-11-23(33-2)12-7-19)30(26)22-9-3-18(16-29)4-10-22/h3-14,17,26,31H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499583 (CHEMBL3741049) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C25H22FNO4/c1-31-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-28)27(24)19-6-8-20(29)9-7-19/h2-13,25,28-29H,14-15H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499581 (CHEMBL3740456) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C27H23FN2O3/c1-17(31)27(32)15-26-24-14-21(28)8-5-20(24)13-25(19-6-11-23(33-2)12-7-19)30(26)22-9-3-18(16-29)4-10-22/h3-14,17,26,31H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499574 (CHEMBL3741857) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C26H24FNO4/c1-16(29)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)28(25)20-7-9-21(30)10-8-20/h3-14,16,25,29-30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499574 (CHEMBL3741857) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C26H24FNO4/c1-16(29)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)28(25)20-7-9-21(30)10-8-20/h3-14,16,25,29-30H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476081 (CHEMBL222621) Show SMILES CCOC(=O)C(C)SC1=C(N)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C15H15NO4S/c1-3-20-15(19)8(2)21-14-11(16)12(17)9-6-4-5-7-10(9)13(14)18/h4-8H,3,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476070 (CHEMBL374013) Show SMILES CCOC(=O)C(C)SC1=C(Cl)C(=O)c2ccccc2C1=O |c:8| Show InChI InChI=1S/C15H13ClO4S/c1-3-20-15(19)8(2)21-14-11(16)12(17)9-6-4-5-7-10(9)13(14)18/h4-8H,3H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476077 (CHEMBL386004) Show SMILES CCOC(=O)CSC1=C(Cl)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C14H11ClO4S/c1-2-19-10(16)7-20-14-11(15)12(17)8-5-3-4-6-9(8)13(14)18/h3-6H,2,7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499572 (CHEMBL3739970) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H21FN2O5/c1-33-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-29)27(24)19-6-8-20(9-7-19)28(31)32/h2-13,25,29H,14-15H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476071 (CHEMBL376481) Show SMILES CCOC(=O)CSC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C20H17NO4S/c1-2-25-16(22)12-26-20-17(21-13-8-4-3-5-9-13)18(23)14-10-6-7-11-15(14)19(20)24/h3-11,21H,2,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50476078 (CHEMBL376009) Show SMILES CCOC(=O)CSC1=C(NCC(C)C)C(=O)c2ccccc2C1=O |c:7| Show InChI InChI=1S/C18H21NO4S/c1-4-23-14(20)10-24-18-15(19-9-11(2)3)16(21)12-7-5-6-8-13(12)17(18)22/h5-8,11,19H,4,9-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.95E+4	n/a	n/a	n/a	n/a	7.9	n/a
Jamia Millia Islamia (A Central University)					Assay Description Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 µL of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...				Bioorg Chem 69: 77-90 (2016) Article DOI: 10.1016/j.bioorg.2016.10.001 BindingDB Entry DOI: 10.7270/Q21V5CS9
					More data for this Ligand-Target Pair				3D Structure (crystal)

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