Compile Data Set for Download or QSAR

Found 1103 hits with Last Name = 'christ' 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
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50209103 (CHEMBL3885379) Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r| Show InChI InChI=1S/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ-40068782 from human mGlu2 receptor expressed in HEK293 cell membranes coexpressing rat glutamate transporter measured after ...				Bioorg Med Chem 25: 496-513 (2017) Article DOI: 10.1016/j.bmc.2016.11.018 BindingDB Entry DOI: 10.7270/Q2QR504D
					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				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	2	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase by overall integration assay				J Med Chem 51: 5125-9 (2008) Article DOI: 10.1021/jm8003784 BindingDB Entry DOI: 10.7270/Q2736TQF
					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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/AAC.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/AAC.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					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£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM
					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)	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
University of Messina Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase after 1 hr by ELISA				Eur J Med Chem 46: 756-64 (2011) Article DOI: 10.1016/j.ejmech.2010.12.012 BindingDB Entry DOI: 10.7270/Q23B62ZN
					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£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479396 (CHEMBL521567) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2F)c2cccc(OC)c12 Show InChI InChI=1S/C22H19F2NO5/c1-3-30-22(28)18(27)10-17(26)14-12-25(11-13-6-4-7-15(23)21(13)24)16-8-5-9-19(29-2)20(14)16/h4-10,12,27H,3,11H2,1-2H3/b18-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/AAC.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					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£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM
					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	7	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/AAC.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					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£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer				Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6
					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)	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
Universita degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase DNA strand transfer activity				J Med Chem 51: 5125-9 (2008) Article DOI: 10.1021/jm8003784 BindingDB Entry DOI: 10.7270/Q2736TQF
					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)	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£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM
					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£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6
					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)	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
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/AAC.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					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
University of Messina Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase after 1 hr by ELISA				Eur J Med Chem 46: 756-64 (2011) Article DOI: 10.1016/j.ejmech.2010.12.012 BindingDB Entry DOI: 10.7270/Q23B62ZN
					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)	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)	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)	BDBM50479403 (CHEMBL523901) Show SMILES COc1cccc2n(Cc3ccc(F)cc3F)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-12(21)7-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-	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
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					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)	BDBM50479402 (CHEMBL495952) Show SMILES COc1cccc2n(Cc3cccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H15F2NO5/c1-28-17-7-3-6-14-18(17)12(15(24)8-16(25)20(26)27)10-23(14)9-11-4-2-5-13(21)19(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b16-8-	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
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50393511 (CHEMBL2158056) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1nc(-c2cccc(c2)-[#7+](-[#8-])=O)c2ncccc2c1=O Show InChI InChI=1S/C18H16N4O3/c1-12(2)8-10-21-18(23)15-7-4-9-19-17(15)16(20-21)13-5-3-6-14(11-13)22(24)25/h3-9,11H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay				J Med Chem 54: 3331-47 (2011) Article DOI: 10.1021/jm200070e BindingDB Entry DOI: 10.7270/Q2CF9R75
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479396 (CHEMBL521567) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2F)c2cccc(OC)c12 Show InChI InChI=1S/C22H19F2NO5/c1-3-30-22(28)18(27)10-17(26)14-12-25(11-13-6-4-7-15(23)21(13)24)16-8-5-9-19(29-2)20(14)16/h4-10,12,27H,3,11H2,1-2H3/b18-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					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	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM
					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	15	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/AAC.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					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	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer				Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6
					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)
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)	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
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)	BDBM50479404 (CHEMBL499475) Show SMILES COc1cccc2n(Cc3cc(F)ccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-7-12(21)5-6-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-	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
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479403 (CHEMBL523901) Show SMILES COc1cccc2n(Cc3ccc(F)cc3F)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-12(21)7-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-	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
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50393510 (CHEMBL1232082) Show SMILES [O-][N+](=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccncc2)c1=O Show InChI InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay				J Med Chem 54: 3331-47 (2011) Article DOI: 10.1021/jm200070e BindingDB Entry DOI: 10.7270/Q2CF9R75
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183276 (6-(3-chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-4-o...) Show SMILES OCCn1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12 Show InChI InChI=1S/C19H15ClFNO4/c20-15-3-1-2-12(17(15)21)8-11-4-5-16-13(9-11)18(24)14(19(25)26)10-22(16)6-7-23/h1-5,9-10,23H,6-8H2,(H,25,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
Universita degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase DNA strand transfer activity				J Med Chem 51: 5125-9 (2008) Article DOI: 10.1021/jm8003784 BindingDB Entry DOI: 10.7270/Q2736TQF
					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 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 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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50085135 (4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay				J Med Chem 54: 3331-47 (2011) Article DOI: 10.1021/jm200070e BindingDB Entry DOI: 10.7270/Q2CF9R75
					More data for this Ligand-Target Pair				3D Structure (crystal)

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