Compile Data Set for Download or QSAR

Found 282 hits with Last Name = 'bailly' and Initial = 'f'   

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)	BDBM50021581 (CHEMBL414850 | L-870810) Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50021581 (CHEMBL414850 | L-870810) Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase using labelled oligonucleotide substrate by ELISA				J Med Chem 51: 2575-9 (2008) Article DOI: 10.1021/jm7011134 BindingDB Entry DOI: 10.7270/Q26M39K5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50021581 (CHEMBL414850 | L-870810) Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50021581 (CHEMBL414850 | L-870810) Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using labelled oligonucleotide substrate by ELISA				J Med Chem 51: 2575-9 (2008) Article DOI: 10.1021/jm7011134 BindingDB Entry DOI: 10.7270/Q26M39K5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB 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	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					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	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV1 integrase using pre-cleaved oligonucleotide as substrate after 1 hr by ELISA				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					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	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB 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	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					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	9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017364 (CHEMBL3288273) Show SMILES COc1ccc2c(C(=O)NCc3ccc(F)cc3)c(O)n(O)c(=O)c2c1 Show InChI InChI=1S/C18H15FN2O5/c1-26-12-6-7-13-14(8-12)17(23)21(25)18(24)15(13)16(22)20-9-10-2-4-11(19)5-3-10/h2-8,24-25H,9H2,1H3,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017362 (CHEMBL3288268) Show SMILES COc1ccc(CNC(=O)c2c(O)n(O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N3O7/c1-28-12-5-2-10(3-6-12)9-19-16(22)15-13-7-4-11(21(26)27)8-14(13)17(23)20(25)18(15)24/h2-8,24-25H,9H2,1H3,(H,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017359 (CHEMBL3288265) Show SMILES Oc1c(C(=O)NCc2ccccc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O6/c21-15(18-9-10-4-2-1-3-5-10)14-12-7-6-11(20(25)26)8-13(12)16(22)19(24)17(14)23/h1-8,23-24H,9H2,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017358 (CHEMBL3286416) Show SMILES Oc1c(C(=O)Nc2ccccc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O Show InChI InChI=1S/C16H11N3O6/c20-14(17-9-4-2-1-3-5-9)13-11-7-6-10(19(24)25)8-12(11)15(21)18(23)16(13)22/h1-8,22-23H,(H,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492499 (CHEMBL2407278) Show SMILES ON1C(=O)C(C(=O)Nc2cccc(F)c2)c2ccccc2C1=O Show InChI InChI=1S/C16H11FN2O4/c17-9-4-3-5-10(8-9)18-14(20)13-11-6-1-2-7-12(11)15(21)19(23)16(13)22/h1-8,13,23H,(H,18,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					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 MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410855 (CIN-QUIN | QUINIDEX | QUINIDINE SULFATE) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:20:19:12.13:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6 (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 using MFC as substrate incubated for 40 mins by fluorimetry				Eur J Med Chem 117: 256-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.083 BindingDB Entry DOI: 10.7270/Q22V2J1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50479372 (CHEMBL456326) Show SMILES ON1C(=O)Cc2ccc(NC(=O)Cc3ccc(F)cc3)cc2C1=O Show InChI InChI=1S/C17H13FN2O4/c18-12-4-1-10(2-5-12)7-15(21)19-13-6-3-11-8-16(22)20(24)17(23)14(11)9-13/h1-6,9,24H,7-8H2,(H,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017350 (CHEMBL3288281) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(cc2C1=O)C(F)(F)F Show InChI InChI=1S/C18H12F4N2O4/c19-11-4-1-9(2-5-11)8-23-15(25)14-12-6-3-10(18(20,21)22)7-13(12)16(26)24(28)17(14)27/h1-7,14,28H,8H2,(H,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492504 (CHEMBL2407277) Show SMILES COc1ccc(NC(=O)C2C(=O)N(O)C(=O)c3ccccc23)cc1Cl Show InChI InChI=1S/C17H13ClN2O5/c1-25-13-7-6-9(8-12(13)18)19-15(21)14-10-4-2-3-5-11(10)16(22)20(24)17(14)23/h2-8,14,24H,1H3,(H,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50117930 ((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...) Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells assessed as inhibition of tail current after 5 mins by automated whole-cell patch clamp assay				Eur J Med Chem 117: 256-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.083 BindingDB Entry DOI: 10.7270/Q22V2J1P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50117930 ((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...) Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human ERG tail current by patch clamp method				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Transcriptional enhancer factor TEF-1 (Homo sapiens)	BDBM50271260 (CHEMBL4130196) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(C)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r| Show InChI InChI=1S/C94H148ClN23O20S2/c1-9-10-28-65-90(135)116-43-21-33-73(116)88(133)103-56(7)79(124)113-70(51-119)86(131)112-69(49-58-24-12-11-13-25-58)85(130)114-71(87(132)110-66(30-15-17-40-97)91(136)118-45-23-35-75(118)92(137)117-44-22-34-74(117)89(134)105-61(78(98)123)36-37-76(121)122)52-140-139-46-38-64(82(127)111-67(47-53(2)3)83(128)107-63(31-19-41-101-94(99)100)80(125)106-62(81(126)109-65)29-14-16-39-96)108-84(129)68(50-59-26-18-27-60(95)48-59)102-55(6)72-32-20-42-115(72)93(138)77(54(4)5)104-57(8)120/h11-13,18,24-27,48,53-56,61-75,77,102,119H,9-10,14-17,19-23,28-47,49-52,96-97H2,1-8H3,(H2,98,123)(H,103,133)(H,104,120)(H,105,134)(H,106,125)(H,107,128)(H,108,129)(H,109,126)(H,110,132)(H,111,127)(H,112,131)(H,113,124)(H,114,130)(H,121,122)(H4,99,100,101)/t55?,56-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75-,77-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universities of Lille Curated by ChEMBL					Assay Description Inhibition of human His-tagged YAP (50 to 171 residues) interaction with human GST-tagged TEAD1 (194 to 411) expressed in Escherichia coli BL21(DE3) ...				J Med Chem 61: 5057-5072 (2018) Article DOI: 10.1021/acs.jmedchem.7b00879 BindingDB Entry DOI: 10.7270/Q22B91H7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50237839 ((R)-3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(3,4-dihy...) Show SMILES OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H15NO10/c20-12-3-1-9(5-13(12)21)2-4-17(24)29-16(18(25)26)7-10-6-14(22)15(23)8-11(10)19(27)28/h1-6,8,16,20-23H,7H2,(H,25,26)/b4-2+/t16-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase using labelled U5A/U5B double stranded DNA substrate				J Med Chem 51: 2575-9 (2008) Article DOI: 10.1021/jm7011134 BindingDB Entry DOI: 10.7270/Q26M39K5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017365 (CHEMBL3288274) Show SMILES Oc1c(C(=O)NCc2ccc(F)cc2)c2cc(ccc2c(=O)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H12FN3O6/c18-10-3-1-9(2-4-10)8-19-15(22)14-13-7-11(21(26)27)5-6-12(13)16(23)20(25)17(14)24/h1-7,24-25H,8H2,(H,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017360 (CHEMBL3288266) Show SMILES Oc1c(C(=O)Nc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O Show InChI InChI=1S/C16H10FN3O6/c17-8-1-3-9(4-2-8)18-14(21)13-11-6-5-10(20(25)26)7-12(11)15(22)19(24)16(13)23/h1-7,23-24H,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50237838 ((R)-3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(4,5-dihy...) Show SMILES OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1cc(O)c(O)cc1[N+]([O-])=O Show InChI InChI=1S/C18H14N2O12/c21-12-3-8(10(19(28)29)6-14(12)23)1-2-17(25)32-16(18(26)27)5-9-4-13(22)15(24)7-11(9)20(30)31/h1-4,6-7,16,21-24H,5H2,(H,26,27)/b2-1+/t16-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase using labelled U5A/U5B double stranded DNA substrate				J Med Chem 51: 2575-9 (2008) Article DOI: 10.1021/jm7011134 BindingDB Entry DOI: 10.7270/Q26M39K5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492515 (CHEMBL2407272) Show SMILES ON1C(=O)C(C(=O)NCCc2ccc(F)cc2)c2ccccc2C1=O Show InChI InChI=1S/C18H15FN2O4/c19-12-7-5-11(6-8-12)9-10-20-16(22)15-13-3-1-2-4-14(13)17(23)21(25)18(15)24/h1-8,15,25H,9-10H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492507 (CHEMBL2407280) Show SMILES ON1C(=O)C(C(=O)NCc2ccccc2)c2ccccc2C1=O Show InChI InChI=1S/C17H14N2O4/c20-15(18-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)16(21)19(23)17(14)22/h1-9,14,23H,10H2,(H,18,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV1 integrase using pre-cleaved oligonucleotide as substrate after 1 hr by ELISA				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492502 (CHEMBL2407284) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(O)cc2O)c2ccccc2C1=O Show InChI InChI=1S/C17H14N2O6/c20-10-6-5-9(13(21)7-10)8-18-15(22)14-11-3-1-2-4-12(11)16(23)19(25)17(14)24/h1-7,14,20-21,25H,8H2,(H,18,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492505 (CHEMBL2407283) Show SMILES COc1ccc(CNC(=O)C2C(=O)N(O)C(=O)c3ccccc23)c(OC)c1 Show InChI InChI=1S/C19H18N2O6/c1-26-12-8-7-11(15(9-12)27-2)10-20-17(22)16-13-5-3-4-6-14(13)18(23)21(25)19(16)24/h3-9,16,25H,10H2,1-2H3,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB 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	50	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-end processing activity				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492508 (CHEMBL2407287) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccccc2C1=O Show InChI InChI=1S/C17H13FN2O4/c18-11-7-5-10(6-8-11)9-19-15(21)14-12-3-1-2-4-13(12)16(22)20(24)17(14)23/h1-8,14,24H,9H2,(H,19,21)	PDB 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
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017356 (CHEMBL3288263) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)Cc3cccs3)cc2C1=O Show InChI InChI=1S/C23H18FN3O5S/c24-14-5-3-13(4-6-14)12-25-21(29)20-17-8-7-15(10-18(17)22(30)27(32)23(20)31)26-19(28)11-16-2-1-9-33-16/h1-10,20,32H,11-12H2,(H,25,29)(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017357 (CHEMBL3288264) Show SMILES CCCCCCNC(=O)c1c(O)n(O)c(=O)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C16H19N3O6/c1-2-3-4-5-8-17-14(20)13-11-7-6-10(19(24)25)9-12(11)15(21)18(23)16(13)22/h6-7,9,22-23H,2-5,8H2,1H3,(H,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017349 (CHEMBL3288280) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(Br)cc2C1=O Show InChI InChI=1S/C17H12BrFN2O4/c18-10-3-6-12-13(7-10)16(23)21(25)17(24)14(12)15(22)20-8-9-1-4-11(19)5-2-9/h1-7,14,25H,8H2,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492508 (CHEMBL2407287) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccccc2C1=O Show InChI InChI=1S/C17H13FN2O4/c18-11-7-5-10(6-8-11)9-19-15(21)14-12-3-1-2-4-13(12)16(22)20(24)17(14)23/h1-8,14,24H,9H2,(H,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of 3'-processing activity of HIV1 integrase using 32P-5'-TGTGGAAAATCTCTAGCAGT-3' and 5'-ACTGCTAGAGATTTTCCACA-3' as substrate after 1 hr by...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017361 (CHEMBL3288267) Show SMILES Oc1c(C(=O)NCCc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O Show InChI InChI=1S/C18H14FN3O6/c19-11-3-1-10(2-4-11)7-8-20-16(23)15-13-6-5-12(22(27)28)9-14(13)17(24)21(26)18(15)25/h1-6,9,25-26H,7-8H2,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50237838 ((R)-3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(4,5-dihy...) Show SMILES OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1cc(O)c(O)cc1[N+]([O-])=O Show InChI InChI=1S/C18H14N2O12/c21-12-3-8(10(19(28)29)6-14(12)23)1-2-17(25)32-16(18(26)27)5-9-4-13(22)15(24)7-11(9)20(30)31/h1-4,6-7,16,21-24H,5H2,(H,26,27)/b2-1+/t16-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using labelled oligonucleotide substrate by ELISA				J Med Chem 51: 2575-9 (2008) Article DOI: 10.1021/jm7011134 BindingDB Entry DOI: 10.7270/Q26M39K5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017351 (CHEMBL3288282) Show SMILES Oc1c(C(=O)NCc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)C#N Show InChI InChI=1S/C18H12FN3O4/c19-12-4-1-10(2-5-12)9-21-16(23)15-13-6-3-11(8-20)7-14(13)17(24)22(26)18(15)25/h1-7,25-26H,9H2,(H,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492503 (CHEMBL2407281) Show SMILES Cc1ccc(CNC(=O)C2C(=O)N(O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H16N2O4/c1-11-6-8-12(9-7-11)10-19-16(21)15-13-4-2-3-5-14(13)17(22)20(24)18(15)23/h2-9,15,24H,10H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492507 (CHEMBL2407280) Show SMILES ON1C(=O)C(C(=O)NCc2ccccc2)c2ccccc2C1=O Show InChI InChI=1S/C17H14N2O4/c20-15(18-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)16(21)19(23)17(14)22/h1-9,14,23H,10H2,(H,18,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELI...				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017353 (CHEMBL3288271) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)c3ccccc3)cc2C1=O Show InChI InChI=1S/C24H18FN3O5/c25-16-8-6-14(7-9-16)13-26-22(30)20-18-11-10-17(12-19(18)23(31)28(33)24(20)32)27-21(29)15-4-2-1-3-5-15/h1-12,20,33H,13H2,(H,26,30)(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA				J Med Chem 57: 4640-60 (2014) Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335
					More data for this Ligand-Target Pair
Transcriptional enhancer factor TEF-1 (Homo sapiens)	BDBM50271259 (CHEMBL4129172) Show SMILES O=C(CSc1nnc[nH]1)Nc1ccc(cc1)C1C2CC3CC(C2)CC1C3 |TLB:13:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:13:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(23.85,-32.36,;23.85,-30.82,;22.52,-30.05,;21.19,-30.82,;19.85,-30.05,;19.35,-28.6,;17.81,-28.62,;17.37,-30.1,;18.63,-30.98,;25.19,-30.05,;26.52,-30.82,;26.52,-32.37,;27.85,-33.14,;29.19,-32.37,;29.18,-30.82,;27.85,-30.06,;30.52,-33.13,;31.72,-31.86,;33.05,-32.35,;34.44,-32,;34.45,-30.47,;33.06,-29.89,;31.71,-30.37,;32.02,-31.13,;32.02,-32.71,;33.43,-33.28,)| Show InChI InChI=1S/C20H24N4OS/c25-18(10-26-20-21-11-22-24-20)23-17-3-1-14(2-4-17)19-15-6-12-5-13(8-15)9-16(19)7-12/h1-4,11-13,15-16,19H,5-10H2,(H,23,25)(H,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universities of Lille Curated by ChEMBL					Assay Description Inhibition of Gal4-fused TEAD 1 (unknown origin) interaction with YAP expressed in human 293T cells by Dual-Glo luciferase reporter gene assay				J Med Chem 61: 5057-5072 (2018) Article DOI: 10.1021/acs.jmedchem.7b00879 BindingDB Entry DOI: 10.7270/Q22B91H7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492503 (CHEMBL2407281) Show SMILES Cc1ccc(CNC(=O)C2C(=O)N(O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H16N2O4/c1-11-6-8-12(9-7-11)10-19-16(21)15-13-4-2-3-5-14(13)17(22)20(24)18(15)23/h2-9,15,24H,10H2,1H3,(H,19,21)	PDB 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
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV1 integrase using pre-cleaved oligonucleotide as substrate after 1 hr by ELISA				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170903 (CHEMBL3805993) Show SMILES CCCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H20N2O4/c1-2-3-4-7-10-17-14(19)13-11-8-5-6-9-12(11)15(20)18(22)16(13)21/h5-6,8-9,13,22H,2-4,7,10H2,1H3,(H,17,19)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA				Eur J Med Chem 117: 256-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.083 BindingDB Entry DOI: 10.7270/Q22V2J1P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170903 (CHEMBL3805993) Show SMILES CCCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H20N2O4/c1-2-3-4-7-10-17-14(19)13-11-8-5-6-9-12(11)15(20)18(22)16(13)21/h5-6,8-9,13,22H,2-4,7,10H2,1H3,(H,17,19)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA				Eur J Med Chem 117: 256-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.083 BindingDB Entry DOI: 10.7270/Q22V2J1P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479373 (CHEMBL512021) Show SMILES ON1C(=O)Cc2ccc(NC(=O)Cc3ccccc3)cc2C1=O Show InChI InChI=1S/C17H14N2O4/c20-15(8-11-4-2-1-3-5-11)18-13-7-6-12-9-16(21)19(23)17(22)14(12)10-13/h1-7,10,23H,8-9H2,(H,18,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 1 Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				J Med Chem 51: 7717-30 (2008) Article DOI: 10.1021/jm8007085 BindingDB Entry DOI: 10.7270/Q2222XJ1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492508 (CHEMBL2407287) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccccc2C1=O Show InChI InChI=1S/C17H13FN2O4/c18-11-7-5-10(6-8-11)9-19-15(21)14-12-3-1-2-4-13(12)16(22)20(24)17(14)23/h1-8,14,24H,9H2,(H,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV1 integrase using pre-cleaved oligonucleotide as substrate after 1 hr by ELISA				ACS Med Chem Lett 4: 606-11 (2013) Article DOI: 10.1021/ml400009t BindingDB Entry DOI: 10.7270/Q2WQ06QT
					More data for this Ligand-Target Pair

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