Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50004141   

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)	BDBM50479323 (CHEMBL476564) Show SMILES CCN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H21FN4O3/c1-2-27-12-14(10-17(27)28)18-16-4-3-9-24-19(16)21(29)20(26-18)22(30)25-11-13-5-7-15(23)8-6-13/h3-9,14,29H,2,10-12H2,1H3,(H,25,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479324 (CHEMBL476357) Show SMILES CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H19FN4O3/c1-26-11-13(9-16(26)27)17-15-3-2-8-23-18(15)20(28)19(25-17)21(29)24-10-12-4-6-14(22)7-5-12/h2-8,13,28H,9-11H2,1H3,(H,24,29)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479322 (CHEMBL514836) Show SMILES Oc1c(nc(C2CNC(=O)C2)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O3/c21-13-5-3-11(4-6-13)9-24-20(28)18-19(27)17-14(2-1-7-22-17)16(25-18)12-8-15(26)23-10-12/h1-7,12,27H,8-10H2,(H,23,26)(H,24,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479325 (CHEMBL514555) Show SMILES CCN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc12 Show InChI InChI=1S/C23H23FN4O5S/c1-3-28-12-14(9-18(28)29)19-16-5-4-8-25-20(16)22(30)21(27-19)23(31)26-11-13-6-7-15(24)10-17(13)34(2,32)33/h4-8,10,14,30H,3,9,11-12H2,1-2H3,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM28236 (CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...) Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479321 (CHEMBL478239) Show SMILES CN(C)C(=O)CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C24H24FN5O4/c1-29(2)19(32)13-30-12-15(10-18(30)31)20-17-4-3-9-26-21(17)23(33)22(28-20)24(34)27-11-14-5-7-16(25)8-6-14/h3-9,15,33H,10-13H2,1-2H3,(H,27,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479326 (CHEMBL476565) Show SMILES CC(C)N1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C23H23FN4O3/c1-13(2)28-12-15(10-18(28)29)19-17-4-3-9-25-20(17)22(30)21(27-19)23(31)26-11-14-5-7-16(24)8-6-14/h3-9,13,15,30H,10-12H2,1-2H3,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479320 (CHEMBL478452) Show SMILES CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc12 Show InChI InChI=1S/C22H21FN4O5S/c1-27-11-13(8-17(27)28)18-15-4-3-7-24-19(15)21(29)20(26-18)22(30)25-10-12-5-6-14(23)9-16(12)33(2,31)32/h3-7,9,13,29H,8,10-11H2,1-2H3,(H,25,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair