Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Gag polyprotein'   

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
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM36656 (Cyclobutylmethyl cyclic urea) Show SMILES Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(CC4CCC4)C3=O)cc12 |r| Show InChI InChI=1S/C32H37N5O3/c33-31-25-16-24(14-15-26(25)34-35-31)20-37-28(18-22-10-5-2-6-11-22)30(39)29(38)27(17-21-8-3-1-4-9-21)36(32(37)40)19-23-12-7-13-23/h1-6,8-11,14-16,23,27-30,38-39H,7,12-13,17-20H2,(H3,33,34,35)/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM36657 (2-Naphthylmethyl cyclic urea) Show SMILES Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5ccccc5c4)C3=O)cc12 |r| Show InChI InChI=1S/C38H37N5O3/c39-37-31-20-28(16-18-32(31)40-41-37)24-43-34(22-26-11-5-2-6-12-26)36(45)35(44)33(21-25-9-3-1-4-10-25)42(38(43)46)23-27-15-17-29-13-7-8-14-30(29)19-27/h1-20,33-36,44-45H,21-24H2,(H3,39,40,41)/t33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM36655 (Cyclopropylmethyl cyclic urea) Show SMILES Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(CC4CC4)C3=O)cc12 |r| Show InChI InChI=1S/C31H35N5O3/c32-30-24-15-23(13-14-25(24)33-34-30)19-36-27(17-21-9-5-2-6-10-21)29(38)28(37)26(16-20-7-3-1-4-8-20)35(31(36)39)18-22-11-12-22/h1-10,13-15,22,26-29,37-38H,11-12,16-19H2,(H3,32,33,34)/t26-,27-,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50124714 ((4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-4,...) Show SMILES CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O Show InChI InChI=1S/C31H37N5O3/c1-2-3-16-35-26(18-21-10-6-4-7-11-21)28(37)29(38)27(19-22-12-8-5-9-13-22)36(31(35)39)20-23-14-15-25-24(17-23)30(32)34-33-25/h4-15,17,26-29,37-38H,2-3,16,18-20H2,1H3,(H3,32,33,34)/t26-,27-,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39.5	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM36658 (n-Pentyl cyclic urea) Show SMILES CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O |r| Show InChI InChI=1S/C32H39N5O3/c1-2-3-10-17-36-27(19-22-11-6-4-7-12-22)29(38)30(39)28(20-23-13-8-5-9-14-23)37(32(36)40)21-24-15-16-26-25(18-24)31(33)35-34-26/h4-9,11-16,18,27-30,38-39H,2-3,10,17,19-21H2,1H3,(H3,33,34,35)/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM36646 (DMP850) Show SMILES Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccccc4)C3=O)cc12 |r| Show InChI InChI=1S/C34H35N5O3/c35-33-27-18-26(16-17-28(27)36-37-33)22-39-30(20-24-12-6-2-7-13-24)32(41)31(40)29(19-23-10-4-1-5-11-23)38(34(39)42)21-25-14-8-3-9-15-25/h1-18,29-32,40-41H,19-22H2,(H3,35,36,37)/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM36659 (n-Hexyl cyclic urea) Show SMILES CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O |r| Show InChI InChI=1S/C33H41N5O3/c1-2-3-4-11-18-37-28(20-23-12-7-5-8-13-23)30(39)31(40)29(21-24-14-9-6-10-15-24)38(33(37)41)22-25-16-17-27-26(19-25)32(34)36-35-27/h5-10,12-17,19,28-31,39-40H,2-4,11,18,20-22H2,1H3,(H3,34,35,36)/t28-,29-,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273882 (2-[3-chloro-3-phenylprop-2-enylidene]hydrazinecarb...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]=[#6](Cl)-c1ccccc1 |w:6.5,4.3| Show InChI InChI=1S/C10H11ClN4/c11-9(6-7-14-15-10(12)13)8-4-2-1-3-5-8/h1-7H,(H4,12,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273849 (1-Chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-car...) Show SMILES [#6]-c1cc(-[#6])c2-[#6]-[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c2c1 |w:9.8,t:14| Show InChI InChI=1S/C14H17ClN4/c1-8-5-9(2)11-4-3-10(7-18-19-14(16)17)13(15)12(11)6-8/h5-7H,3-4H2,1-2H3,(H4,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273851 (2-[(3-chloro-1H-inden-2-yl)methylene]hydrazinecarb...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-1 |w:5.5,c:6| Show InChI InChI=1S/C11H11ClN4/c12-10-8(6-15-16-11(13)14)5-7-3-1-2-4-9(7)10/h1-4,6H,5H2,(H4,13,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50253469 (1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde g...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6| Show InChI InChI=1S/C12H13ClN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273883 (CHEMBL460174 | beta-Chloro-alpha-methylcinnamaldeh...) Show SMILES [#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c1ccccc1 |w:2.1,1.0| Show InChI InChI=1S/C11H13ClN4/c1-8(7-15-16-11(13)14)10(12)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273850 (1-Chloro-3-dihydro-4-methylnaphthalene-2-carboxald...) Show SMILES [#6]-[#6]-1-[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c2ccccc-12 |w:4.3,t:9| Show InChI InChI=1S/C13H15ClN4/c1-8-6-9(7-17-18-13(15)16)12(14)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3,(H4,15,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273848 (1-Chloro-6-methoxy-3,4-dihydronaphthalene-2-carbox...) Show SMILES [#6]-[#8]-c1ccc2-[#6](Cl)=[#6](-[#6]-[#6]-c2c1)-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:13.14,c:7| Show InChI InChI=1S/C13H15ClN4O/c1-19-10-4-5-11-8(6-10)2-3-9(12(11)14)7-17-18-13(15)16/h4-7H,2-3H2,1H3,(H4,15,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273854 (1-Methoxy-3,4-dihydronaphthalene-2-carboxaldehyde ...) Show SMILES [#6]-[#8]-[#6]-1=[#6](-[#6]-[#6]-c2ccccc-12)-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:12.13,t:2| Show InChI InChI=1S/C13H16N4O/c1-18-12-10(8-16-17-13(14)15)7-6-9-4-2-3-5-11(9)12/h2-5,8H,6-7H2,1H3,(H4,14,15,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273852 (9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxa...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1 |w:5.5,c:6| Show InChI InChI=1S/C13H15ClN4/c14-12-10(8-17-18-13(15)16)6-3-5-9-4-1-2-7-11(9)12/h1-2,4,7-8H,3,5-6H2,(H4,15,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273880 (1-Phenoxy-3,4-dihydronaphthalene-2-carboxaldehyde ...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](-[#8]-c2ccccc2)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6| Show InChI InChI=1S/C18H18N4O/c19-18(20)22-21-12-14-11-10-13-6-4-5-9-16(13)17(14)23-15-7-2-1-3-8-15/h1-9,12H,10-11H2,(H4,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273847 (1-Chloro-7-methoxy-3,4-dihydronaphthalene-2-carbox...) Show SMILES [#6]-[#8]-c1ccc2-[#6]-[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c2c1 |w:9.8,t:14| Show InChI InChI=1S/C13H15ClN4O/c1-19-10-5-4-8-2-3-9(7-17-18-13(15)16)12(14)11(8)6-10/h4-7H,2-3H2,1H3,(H4,15,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50240439 (2-(1-Naphthalenylmethylene) hydrazinecarboximidami...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc2ccccc12 |w:5.5| Show InChI InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50240438 (2-(2-Naphthalenylmethylene)hydrazinecarboximidamid...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc2ccccc2c1 |w:5.5| Show InChI InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273853 (1-Bromo-3,4-dihydronaphthalene-2-carboxaldehyde gu...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Br)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6| Show InChI InChI=1S/C12H13BrN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Avian erythroblastosis virus (strain ES4))	BDBM50273881 (1-(1,1,1,-Trifluoromethyl)-3,4-dihydronaphthalene-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](-c2ccccc2-[#6]-[#6]-1)C(F)(F)F |w:5.5,t:6| Show InChI InChI=1S/C13H13F3N4/c14-13(15,16)11-9(7-19-20-12(17)18)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,17,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...				Bioorg Med Chem 16: 10075-84 (2008) Article DOI: 10.1016/j.bmc.2008.10.007 BindingDB Entry DOI: 10.7270/Q28915Q2
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus 1)	BDBM50450015 (Bms-955176 | GSK-3532795) Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to wild type HIV1 gag polyprotein containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair
Gag polyprotein (Human immunodeficiency virus 1)	BDBM50450016 (CHEMBL4163247) Show SMILES [H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26?,28+,33-,34+,35+,36?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to wild type HIV1 gag polyprotein containing viral like particle				J Med Chem 61: 7289-7313 (2018) Article DOI: 10.1021/acs.jmedchem.8b00854 BindingDB Entry DOI: 10.7270/Q2377C8R
					More data for this Ligand-Target Pair