Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'calmels' and Initial = 'c'   

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	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)	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£ 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	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	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)	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)	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)	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)	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)	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
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
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
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)	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)	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 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
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)	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)	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)	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)	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)	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)	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)	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
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)	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
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	100	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)	BDBM50017352 (CHEMBL3288270) Show SMILES CC(=O)Nc1ccc2C(C(=O)NCc3ccc(F)cc3)C(=O)N(O)C(=O)c2c1 Show InChI InChI=1S/C19H16FN3O5/c1-10(24)22-13-6-7-14-15(8-13)18(26)23(28)19(27)16(14)17(25)21-9-11-2-4-12(20)5-3-11/h2-8,16,28H,9H2,1H3,(H,21,25)(H,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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)	BDBM50017366 (CHEMBL3288275) Show SMILES Nc1ccc2C(C(=O)NCc3ccc(F)cc3)C(=O)N(O)C(=O)c2c1 Show InChI InChI=1S/C17H14FN3O4/c18-10-3-1-9(2-4-10)8-20-15(22)14-12-6-5-11(19)7-13(12)16(23)21(25)17(14)24/h1-7,14,25H,8,19H2,(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	110	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	110	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)	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	120	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)	BDBM50492500 (CHEMBL2407273) Show SMILES COc1ccc(CCNC(=O)C2C(=O)N(O)C(=O)c3ccccc23)cc1OC Show InChI InChI=1S/C20H20N2O6/c1-27-15-8-7-12(11-16(15)28-2)9-10-21-18(23)17-13-5-3-4-6-14(13)19(24)22(26)20(17)25/h3-8,11,17,26H,9-10H2,1-2H3,(H,21,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	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)	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	130	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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492514 (CHEMBL2407274) Show SMILES ON1C(=O)C(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2C1=O Show InChI InChI=1S/C18H16N2O6/c21-13-6-5-10(9-14(13)22)7-8-19-16(23)15-11-3-1-2-4-12(11)17(24)20(26)18(15)25/h1-6,9,15,21-22,26H,7-8H2,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase RNase H activity after 10 mins				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)	BDBM50017348 (CHEMBL3288279) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2C1=O Show InChI InChI=1S/C17H12ClFN2O4/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	140	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)	BDBM50017354 (CHEMBL3288261) Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)c3ccccn3)cc2C1=O Show InChI InChI=1S/C23H17FN4O5/c24-14-6-4-13(5-7-14)12-26-21(30)19-16-9-8-15(11-17(16)22(31)28(33)23(19)32)27-20(29)18-3-1-2-10-25-18/h1-11,19,33H,12H2,(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	160	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 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	180	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 CYP2C9 (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

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