Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'kerrigan' and Initial = 'jj'   

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
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92766 (PDF inhibitor, compound 8) Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r| Show InChI InChI=1S/C26H31ClN8O3S/c1-18-6-2-4-8-21(18)28-24-29-25(34-12-10-33(11-13-34)22-9-5-3-7-20(22)27)31-26(30-24)35-17-39-16-19(35)14-38-15-23(36)32-37/h2-9,19,37H,10-17H2,1H3,(H,32,36)(H,28,29,30,31)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92761 (PDF inhibitor, compound 3) Show SMILES CNC(=O)[C@@H]1CSCN1c1nc(Nc2c(C)cccc2C(=O)NC)nc(n1)N1CCN(CC1)c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN9O2S/c1-17-7-6-8-18(23(38)29-2)22(17)31-25-32-26(34-27(33-25)37-16-40-15-21(37)24(39)30-3)36-13-11-35(12-14-36)20-10-5-4-9-19(20)28/h4-10,21H,11-16H2,1-3H3,(H,29,38)(H,30,39)(H,31,32,33,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92764 (PDF inhibitor, compound 6) Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r| Show InChI InChI=1S/C28H34ClN9O4S/c1-18-6-5-7-20(25(40)30-2)24(18)31-26-32-27(37-12-10-36(11-13-37)22-9-4-3-8-21(22)29)34-28(33-26)38-17-43-16-19(38)14-42-15-23(39)35-41/h3-9,19,41H,10-17H2,1-2H3,(H,30,40)(H,35,39)(H,31,32,33,34)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92760 (PDF inhibitor, compound 2) Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r| Show InChI InChI=1S/C28H33ClN10O4S/c1-17-6-5-7-18(24(41)30-2)23(17)32-26-33-27(38-12-10-37(11-13-38)20-9-4-3-8-19(20)29)35-28(34-26)39-16-44-15-21(39)25(42)31-14-22(40)36-43/h3-9,21,43H,10-16H2,1-2H3,(H,30,41)(H,31,42)(H,36,40)(H,32,33,34,35)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92765 (PDF inhibitor, compound 7) Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r| Show InChI InChI=1S/C26H30ClN9O3S/c1-17-6-2-4-8-19(17)29-24-30-25(35-12-10-34(11-13-35)20-9-5-3-7-18(20)27)32-26(31-24)36-16-40-15-21(36)23(38)28-14-22(37)33-39/h2-9,21,39H,10-16H2,1H3,(H,28,38)(H,33,37)(H,29,30,31,32)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92759 (PDF inhibitor, compound 1) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(8-22(25)9-23)12(24)20-21-13-18-7-6-11(19-13)14(15,16)17/h6-7,9-10,25H,2-5,8H2,1H3,(H,20,24)(H,18,19,21)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92762 (PDF inhibitor, compound 4) Show SMILES OC(CCNC(=O)c1cccc(Cl)c1Cl)C=O Show InChI InChI=1S/C11H11Cl2NO3/c12-9-3-1-2-8(10(9)13)11(17)14-5-4-7(16)6-15/h1-3,6-7,16H,4-5H2,(H,14,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92763 (PDF inhibitor, compound 5) Show SMILES ON(CCOc1cccc(Cl)c1Cl)C=O Show InChI InChI=1S/C9H9Cl2NO3/c10-7-2-1-3-8(9(7)11)15-5-4-12(14)6-13/h1-3,6,14H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20163 (3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dih...) Show SMILES CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(C1=O)c1ccccc1 |c:14| Show InChI InChI=1S/C18H15ClN2O2/c1-2-21-17(22)15(12-6-4-3-5-7-12)16(18(21)23)20-14-10-8-13(19)9-11-14/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	725	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM8293 (1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...) Show SMILES CN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19992 (2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...) Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20156 (1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-d...) Show SMILES COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20157 (1-benzyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...) Show SMILES O=C1N(Cc2ccccc2)C(=O)C(=C1Nc1ccccc1)c1ccccc1 |c:13| Show InChI InChI=1S/C23H18N2O2/c26-22-20(18-12-6-2-7-13-18)21(24-19-14-8-3-9-15-19)23(27)25(22)16-17-10-4-1-5-11-17/h1-15,24H,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20158 (1-benzyl-3-[(4-chlorophenyl)amino]-4-phenyl-2,5-di...) Show SMILES Clc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:6| Show InChI InChI=1S/C23H17ClN2O2/c24-18-11-13-19(14-12-18)25-21-20(17-9-5-2-6-10-17)22(27)26(23(21)28)15-16-7-3-1-4-8-16/h1-14,25H,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20159 (1-ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-di...) Show SMILES CCN1C(=O)C(Nc2ccc(OC)cc2)=C(C1=O)c1ccccc1 |c:15| Show InChI InChI=1S/C19H18N2O3/c1-3-21-18(22)16(13-7-5-4-6-8-13)17(19(21)23)20-14-9-11-15(24-2)12-10-14/h4-12,20H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20160 (3-[(4-methoxyphenyl)amino]-1,4-diphenyl-2,5-dihydr...) Show SMILES COc1ccc(cc1)N=C1C(C(=O)N(C1=O)c1ccccc1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C23H18N2O3/c1-28-19-14-12-17(13-15-19)24-21-20(16-8-4-2-5-9-16)22(26)25(23(21)27)18-10-6-3-7-11-18/h2-15,20H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20161 (3-[(4-methoxyphenyl)amino]-1-methyl-4-phenyl-2,5-d...) Show SMILES COc1ccc(NC2=C(C(=O)N(C)C2=O)c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C18H16N2O3/c1-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)19-13-8-10-14(23-2)11-9-13/h3-11,19H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20162 (1-ethyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-py...) Show SMILES CCN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C18H16N2O2/c1-2-20-17(21)15(13-9-5-3-6-10-13)16(18(20)22)19-14-11-7-4-8-12-14/h3-12,19H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	560	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20163 (3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dih...) Show SMILES CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(C1=O)c1ccccc1 |c:14| Show InChI InChI=1S/C18H15ClN2O2/c1-2-21-17(22)15(12-6-4-3-5-7-12)16(18(21)23)20-14-10-8-13(19)9-11-14/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	575	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM8293 (1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...) Show SMILES CN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C17H14N2O2/c1-19-16(20)14(12-8-4-2-5-9-12)15(17(19)21)18-13-10-6-3-7-11-13/h2-11,18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	850	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20162 (1-ethyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-py...) Show SMILES CCN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C18H16N2O2/c1-2-20-17(21)15(13-9-5-3-6-10-13)16(18(20)22)19-14-11-7-4-8-12-14/h3-12,19H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	890	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20161 (3-[(4-methoxyphenyl)amino]-1-methyl-4-phenyl-2,5-d...) Show SMILES COc1ccc(NC2=C(C(=O)N(C)C2=O)c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C18H16N2O3/c1-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)19-13-8-10-14(23-2)11-9-13/h3-11,19H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	575	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20160 (3-[(4-methoxyphenyl)amino]-1,4-diphenyl-2,5-dihydr...) Show SMILES COc1ccc(cc1)N=C1C(C(=O)N(C1=O)c1ccccc1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C23H18N2O3/c1-28-19-14-12-17(13-15-19)24-21-20(16-8-4-2-5-9-16)22(26)25(23(21)27)18-10-6-3-7-11-18/h2-15,20H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	275	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20159 (1-ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-di...) Show SMILES CCN1C(=O)C(Nc2ccc(OC)cc2)=C(C1=O)c1ccccc1 |c:15| Show InChI InChI=1S/C19H18N2O3/c1-3-21-18(22)16(13-7-5-4-6-8-13)17(19(21)23)20-14-9-11-15(24-2)12-10-14/h4-12,20H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20158 (1-benzyl-3-[(4-chlorophenyl)amino]-4-phenyl-2,5-di...) Show SMILES Clc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:6| Show InChI InChI=1S/C23H17ClN2O2/c24-18-11-13-19(14-12-18)25-21-20(17-9-5-2-6-10-17)22(27)26(23(21)28)15-16-7-3-1-4-8-16/h1-14,25H,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20157 (1-benzyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-p...) Show SMILES O=C1N(Cc2ccccc2)C(=O)C(=C1Nc1ccccc1)c1ccccc1 |c:13| Show InChI InChI=1S/C23H18N2O2/c26-22-20(18-12-6-2-7-13-18)21(24-19-14-8-3-9-15-19)23(27)25(22)16-17-10-4-1-5-11-17/h1-15,24H,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20156 (1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-2,5-d...) Show SMILES COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM19992 (2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...) Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 48: 5419-22 (2005) Article DOI: 10.1021/jm050532w BindingDB Entry DOI: 10.7270/Q26T0JXG
					More data for this Ligand-Target Pair				3D Structure (crystal)