Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'amssoms' and Initial = 'ki'   

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)	BDBM50410310 (CHEMBL2079773) Show SMILES [O-]c1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)[N-]Cc1ccc(F)cc1 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/h3-9H,1-2,10-12H2,(H2,23,26,27)/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Tibotec BVBA Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243470 (US9427440, 18) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O5S/c1-34-15-7-8-16-35(2)42(39,40)33-31(37)22-11-13-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)12-14-26(23)30(36)29(27)21-9-5-4-6-10-21/h11-14,17-19,21H,4-10,15-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243471 (US9427440, 19) Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C=C(Cn4c3c2)C1=O |c:36| Show InChI InChI=1S/C31H35FN4O5S/c1-34-12-14-41-15-13-35(2)42(39,40)33-30(37)21-8-10-26-27(18-21)36-19-23(31(34)38)16-22-17-24(32)9-11-25(22)29(36)28(26)20-6-4-3-5-7-20/h8-11,16-18,20H,3-7,12-15,19H2,1-2H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243472 (US9427440, 20) Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C(C)=C(Cn4c3c2)C1=O |c:37| Show InChI InChI=1S/C32H37FN4O5S/c1-20-26-18-23(33)10-12-24(26)30-29(21-7-5-4-6-8-21)25-11-9-22-17-28(25)37(30)19-27(20)32(39)35(2)13-15-42-16-14-36(3)43(40,41)34-31(22)38/h9-12,17-18,21H,4-8,13-16,19H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243468 (US9427440, 16) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=C(C)c2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |t:25| Show InChI InChI=1S/C33H40N4O6S/c1-21-27-19-24(42-4)11-13-25(27)31-30(22-8-6-5-7-9-22)26-12-10-23-18-29(26)37(31)20-28(21)33(39)35(2)14-16-43-17-15-36(3)44(40,41)34-32(23)38/h10-13,18-19,22H,5-9,14-17,20H2,1-4H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50410311 (CHEMBL2068731) Show SMILES CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)[CH-]C(=O)C([O-])=O Show InChI InChI=1S/C20H19O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11-13H,10H2,1-2H3,(H,23,24)/q-1/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422732 (CHEMBL424782) Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-2-1-7(5-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422734 (CHEMBL368301) Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl Show InChI InChI=1S/C17H9ClFN3O4/c18-8-5-7(1-2-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422722 (CHEMBL360752) Show SMILES Clc1cc(Cl)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243461 (US9427440, 13) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NC\C=C\CN(C)S(=O)(=O)NC5=O |c:25,t:35| Show InChI InChI=1S/C31H34N4O5S/c1-34-15-7-6-14-32-30(36)23-16-22-17-24(40-2)11-13-25(22)29-28(20-8-4-3-5-9-20)26-12-10-21(18-27(26)35(29)19-23)31(37)33-41(34,38)39/h6-7,10-13,16-18,20H,3-5,8-9,14-15,19H2,1-2H3,(H,32,36)(H,33,37)/b7-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422731 (CHEMBL425516) Show SMILES Brc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10BrN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422706 (CHEMBL367104) Show SMILES Clc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243457 (US9427440, 11) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O |(8.09,-.74,;7,-1.83,;5.51,-1.43,;4.5,-2.59,;2.99,-2.3,;2.49,-.84,;.95,-.84,;.05,-2.09,;.44,-3.57,;-.64,-4.66,;-.25,-6.15,;1.24,-6.55,;2.33,-5.46,;1.93,-3.97,;-1.42,-1.61,;-2.75,-2.38,;-4.09,-1.61,;-4.09,-.07,;-2.75,.7,;-1.42,-.07,;.05,.41,;.46,1.96,;1.87,2.57,;3.23,3.52,;3.23,1.84,;3.5,.32,;5.01,.02,;.78,3.65,;-.71,3.26,;1.25,4.55,;-.09,5.32,;-1.42,4.55,;-2.75,5.32,;-1.21,5.32,;.25,6.55,;-4.09,4.55,;-5.42,5.32,;-6.75,4.55,;-8.09,5.32,;-6.75,3.01,;-8.09,2.24,;-5.42,3.78,;-5.42,2.24,;-5.42,.7,;-6.75,-.07,)| Show InChI InChI=1S/C34H41N5O5S/c1-36-12-13-37-14-16-38(17-15-37)33(41)34-20-28(34)27-19-24(44-2)9-11-25(27)31-30(22-6-4-3-5-7-22)26-10-8-23(18-29(26)39(31)21-34)32(40)35-45(36,42)43/h8-11,18-19,22,28H,3-7,12-17,20-21H2,1-2H3,(H,35,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422718 (CHEMBL177640) Show SMILES Cc1ccc2c(O)c3C(=O)N(Cc4cccc(Br)c4)C(=O)c3c(O)c2n1 Show InChI InChI=1S/C19H13BrN2O4/c1-9-5-6-12-15(21-9)17(24)14-13(16(12)23)18(25)22(19(14)26)8-10-3-2-4-11(20)7-10/h2-7,23-24H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243460 (US9427440, 10) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCCCCN(C)S(=O)(=O)NC5=O Show InChI InChI=1S/C32H38N4O5S/c1-35-15-7-6-14-33-31(38)32-18-26(32)25-17-22(41-2)11-13-23(25)29-28(20-8-4-3-5-9-20)24-12-10-21(16-27(24)36(29)19-32)30(37)34-42(35,39)40/h10-13,16-17,20,26H,3-9,14-15,18-19H2,1-2H3,(H,33,38)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243458 (US9427440, 5) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NCCN1CCN(CC1)S(=O)(=O)NC5=O |c:25,(8.09,-.48,;7,-1.57,;5.51,-1.17,;4.5,-2.33,;2.99,-2.03,;2.49,-.57,;.95,-.57,;.05,-1.82,;.44,-3.31,;-.64,-4.4,;-.25,-5.88,;1.24,-6.28,;2.33,-5.19,;1.93,-3.71,;-1.42,-1.34,;-2.75,-2.11,;-4.09,-1.34,;-4.09,.2,;-2.75,.97,;-1.42,.2,;.05,.67,;.46,2.22,;1.87,2.83,;3.23,2.1,;3.5,.59,;5.01,.29,;.78,3.92,;-.71,3.52,;1.25,4.82,;-.09,5.59,;-1.42,4.82,;-2.75,5.59,;-4.09,4.82,;-5.42,5.59,;-6.75,4.82,;-5.31,6.28,;-4.29,5.59,;-6.75,3.28,;-8.09,2.51,;-5.42,4.05,;-5.42,2.51,;-5.42,.97,;-6.75,.2,)| Show InChI InChI=1S/C32H37N5O5S/c1-42-25-8-10-26-23(18-25)17-24-20-37-28-19-22(7-9-27(28)29(30(26)37)21-5-3-2-4-6-21)32(39)34-43(40,41)36-15-13-35(14-16-36)12-11-33-31(24)38/h7-10,17-19,21H,2-6,11-16,20H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422733 (CHEMBL414654) Show SMILES Fc1ccc(Br)cc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H9BrFN3O4/c18-8-1-2-9(19)7(5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422697 (CHEMBL362252) Show SMILES Fc1cc(F)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H9F2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422703 (CHEMBL366982) Show SMILES Oc1c2C(=O)N(Cc3cccc(Br)c3)C(=O)c2c(O)c2ncccc12 Show InChI InChI=1S/C18H11BrN2O4/c19-10-4-1-3-9(7-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)5-2-6-20-14/h1-7,22-23H,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243455 (US9427440, 2) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422699 (CHEMBL369841) Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422711 (CHEMBL360274) Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C17H10FN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422704 (CHEMBL177215) Show SMILES COc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c(OC)c1 Show InChI InChI=1S/C19H15N3O6/c1-27-10-4-3-9(11(7-10)28-2)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422700 (CHEMBL177515) Show SMILES COc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1OC Show InChI InChI=1S/C19H15N3O6/c1-27-10-5-3-4-9(17(10)28-2)8-22-18(25)11-12(19(22)26)16(24)14-13(15(11)23)20-6-7-21-14/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422721 (CHEMBL177622) Show SMILES FC(F)(F)c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)9-3-1-2-8(6-9)7-24-16(27)10-11(17(24)28)15(26)13-12(14(10)25)22-4-5-23-13/h1-6,22-23H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422728 (CHEMBL424780) Show SMILES Fc1cc(Br)ccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H9BrFN3O4/c18-8-2-1-7(9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422702 (CHEMBL174793) Show SMILES Fc1ccccc1-c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C23H14FN3O4/c24-15-7-2-1-6-14(15)13-5-3-4-12(10-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-8-9-26-19/h1-10,25-26H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243462 (US9427440, 3) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3C[C@@H](Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |r| Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422696 (CHEMBL174001) Show SMILES COc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C18H13N3O5/c1-26-10-4-2-9(3-5-10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422715 (CHEMBL177690) Show SMILES Fc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10FN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422724 (CHEMBL177724) Show SMILES O=c1n(Cc2ccc3OCOc3c2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H11N3O6/c22-15-11-12(16(23)14-13(15)19-3-4-20-14)18(25)21(17(11)24)6-8-1-2-9-10(5-8)27-7-26-9/h1-5,19-20H,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422708 (CHEMBL177380) Show SMILES Brc1ccccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H10BrN3O4/c18-9-4-2-1-3-8(9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422698 (CHEMBL368424) Show SMILES Cc1csc(c1)-c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C22H15N3O4S/c1-11-7-14(30-10-11)13-4-2-3-12(8-13)9-25-21(28)15-16(22(25)29)20(27)18-17(19(15)26)23-5-6-24-18/h2-8,10,23-24H,9H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422730 (CHEMBL177405) Show SMILES COc1ccc(OC)c(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C19H15N3O6/c1-27-10-3-4-11(28-2)9(7-10)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422713 (CHEMBL177311) Show SMILES COc1ccccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H13N3O5/c1-26-10-5-3-2-4-9(10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	813	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243459 (US9427440, 12) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCC\C=C\CN(C)S(=O)(=O)NC5=O |t:38| Show InChI InChI=1S/C33H38N4O5S/c1-36-16-8-4-7-15-34-32(39)33-19-27(33)26-18-23(42-2)12-14-24(26)30-29(21-9-5-3-6-10-21)25-13-11-22(17-28(25)37(30)20-33)31(38)35-43(36,40)41/h4,8,11-14,17-18,21,27H,3,5-7,9-10,15-16,19-20H2,1-2H3,(H,34,39)(H,35,38)/b8-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422709 (CHEMBL174851) Show SMILES Fc1ccccc1-c1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C23H14FN3O4/c24-15-4-2-1-3-14(15)13-7-5-12(6-8-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-9-10-26-19/h1-10,25-26H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422705 (CHEMBL368509) Show SMILES C[C@H](c1ccccc1)n1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H13N3O4/c1-9(10-5-3-2-4-6-10)21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-7-8-20-14/h2-9,19-20H,1H3/t9-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422717 (CHEMBL175671) Show SMILES O=c1n(CCc2ccc3OCOc3c2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C19H13N3O6/c23-16-12-13(17(24)15-14(16)20-4-5-21-15)19(26)22(18(12)25)6-3-9-1-2-10-11(7-9)28-8-27-10/h1-2,4-5,7,20-21H,3,6,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422695 (CHEMBL175404) Show SMILES O=c1n(Cc2cccc3ccccc23)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C21H13N3O4/c25-18-14-15(19(26)17-16(18)22-8-9-23-17)21(28)24(20(14)27)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,22-23H,10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422727 (CHEMBL367945) Show SMILES O=c1n(Cc2ccc(cc2)-c2ccccc2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C23H15N3O4/c27-20-16-17(21(28)19-18(20)24-10-11-25-19)23(30)26(22(16)29)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,24-25H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422712 (CHEMBL177704) Show SMILES Cc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C18H13N3O4/c1-9-2-4-10(5-3-9)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422714 (CHEMBL177547) Show SMILES COc1cccc(OC)c1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C19H15N3O6/c1-27-10-4-3-5-11(28-2)9(10)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-6-7-21-15/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422701 (CHEMBL366712) Show SMILES C[C@@H](c1ccccc1)n1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H13N3O4/c1-9(10-5-3-2-4-6-10)21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-7-8-20-14/h2-9,19-20H,1H3/t9-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422720 (CHEMBL177705) Show SMILES FC(F)(F)Oc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C18H10F3N3O5/c19-18(20,21)29-9-3-1-8(2-4-9)7-24-16(27)10-11(17(24)28)15(26)13-12(14(10)25)22-5-6-23-13/h1-6,22-23H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422707 (CHEMBL435337) Show SMILES O=c1n(CCc2ccccc2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H13N3O4/c22-15-11-12(16(23)14-13(15)19-7-8-20-14)18(25)21(17(11)24)9-6-10-4-2-1-3-5-10/h1-5,7-8,19-20H,6,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422723 (CHEMBL367772) Show SMILES O=c1n(CC2CCCCC2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H17N3O4/c21-14-10-11(15(22)13-12(14)18-6-7-19-13)17(24)20(16(10)23)8-9-4-2-1-3-5-9/h6-7,9,18-19H,1-5,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50422716 (CHEMBL176023) Show SMILES O=C(N1CCC(CC1)n1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O)c1ccccc1 Show InChI InChI=1S/C22H18N4O5/c27-18-14-15(19(28)17-16(18)23-8-9-24-17)22(31)26(21(14)30)13-6-10-25(11-7-13)20(29)12-4-2-1-3-5-12/h1-5,8-9,13,23-24H,6-7,10-11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair

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