Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50004788   

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)	BDBM50485874 (CHEMBL2171671) Show SMILES OC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C14H11FN2O5/c15-8-3-1-7(2-4-8)5-17-13(20)9-6-16-10(14(21)22)12(19)11(9)18/h1-4,6,19H,5H2,(H,16,18)(H,17,20)(H,21,22)	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
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485875 (CHEMBL2171670) Show SMILES COC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C15H13FN2O5/c1-23-15(22)11-13(20)12(19)10(7-17-11)14(21)18-6-8-2-4-9(16)5-3-8/h2-5,7,20H,6H2,1H3,(H,17,19)(H,18,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485873 (CHEMBL2171665) Show SMILES COCCNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C17H18FN3O5/c1-26-7-6-19-17(25)13-15(23)14(22)12(9-20-13)16(24)21-8-10-2-4-11(18)5-3-10/h2-5,9,23H,6-8H2,1H3,(H,19,25)(H,20,22)(H,21,24)	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
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485877 (CHEMBL2171666) Show SMILES OCCNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C16H16FN3O5/c17-10-3-1-9(2-4-10)7-20-15(24)11-8-19-12(14(23)13(11)22)16(25)18-5-6-21/h1-4,8,21,23H,5-7H2,(H,18,25)(H,19,22)(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485876 (CHEMBL2171667) Show SMILES NC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C14H12FN3O4/c15-8-3-1-7(2-4-8)5-18-14(22)9-6-17-10(13(16)21)12(20)11(9)19/h1-4,6,20H,5H2,(H2,16,21)(H,17,19)(H,18,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485871 (CHEMBL2171669) Show SMILES CN(C)C(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C16H16FN3O4/c1-20(2)16(24)12-14(22)13(21)11(8-18-12)15(23)19-7-9-3-5-10(17)6-4-9/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485872 (CHEMBL2171668) Show SMILES CNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C15H14FN3O4/c1-17-15(23)11-13(21)12(20)10(7-18-11)14(22)19-6-8-2-4-9(16)5-3-8/h2-5,7,21H,6H2,1H3,(H,17,23)(H,18,20)(H,19,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair