Compile Data Set for Download or QSAR

Found 790 hits with Last Name = 'barr' and Initial = 'r'   

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
Estrogen receptor beta (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.190	-54.9	n/a	n/a	0.660	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.299	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110732 (CHEMBL3605927) Show SMILES COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;6.54,-3.95,;5,-3.96,;4.22,-2.63,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)| Show InChI InChI=1S/C26H27FN2O3S/c1-16(2)18-13-21-25(20-11-10-19(27)15-24(20)32-3)22(12-17-8-6-5-7-9-17)28-26(21)23(14-18)29-33(4,30)31/h5-11,13-16,28-29H,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.998	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110730 (CHEMBL3605919) Show SMILES COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)| Show InChI InChI=1S/C28H32FN3O3S/c1-18(2)20-13-23-27(22-12-11-21(29)15-26(22)35-4)25(17-32(3)16-19-9-7-6-8-10-19)30-28(23)24(14-20)31-36(5,33)34/h6-15,18,30-31H,16-17H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110733 (CHEMBL3605929) Show SMILES COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C17H16F2N2O3S/c1-9-16(12-5-4-10(18)8-15(12)24-2)13-6-11(19)7-14(17(13)20-9)21-25(3,22)23/h4-8,20-21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19969 ((2S,6R,7S)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.54	-49.8	n/a	n/a	3.61	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178953 (CHEMBL3815166) Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50110735 (CHEMBL3605932) Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-21(19,20)18-14-7-3-6-12-13(9-17-15(12)14)10-4-2-5-11(16)8-10/h2-9,17-18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.68	-48.4	n/a	n/a	19.4	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110731 (CHEMBL3605926) Show SMILES COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-4.78,.91,;-3.72,2.76,;-4.79,2.14,)| Show InChI InChI=1S/C29H34FN3O3S/c1-29(2,3)20-14-23-27(22-13-12-21(30)16-26(22)36-5)25(18-33(4)17-19-10-8-7-9-11-19)31-28(23)24(15-20)32-37(6,34)35/h7-16,31-32H,17-18H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178952 (CHEMBL3814574) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110736 (CHEMBL3605933) Show SMILES COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12 Show InChI InChI=1S/C16H16N2O3S/c1-21-15-9-4-3-6-11(15)13-10-17-16-12(13)7-5-8-14(16)18-22(2,19)20/h3-10,17-18H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586388 (CHEMBL5081557) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccccc5Cl)CC4)c3s2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01918 BindingDB Entry DOI: 10.7270/Q2B85D1S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110735 (CHEMBL3605932) Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-21(19,20)18-14-7-3-6-12-13(9-17-15(12)14)10-4-2-5-11(16)8-10/h2-9,17-18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50110735 (CHEMBL3605932) Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-21(19,20)18-14-7-3-6-12-13(9-17-15(12)14)10-4-2-5-11(16)8-10/h2-9,17-18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110734 (CHEMBL3605930) Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12 Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM498074 ((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r| Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-5-20(6-8-23)15-33-26(37)24-14-21-13-18(2)40-28(25(21)41-24)9-11-36(12-10-28)19(3)22-16-34-27(35-17-22)29(30,31)32/h5-8,14,16-19H,4,9-13,15H2,1-3H3,(H,33,37)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01918 BindingDB Entry DOI: 10.7270/Q2B85D1S
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178954 (CHEMBL3813779) Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/alpha (Homo sapiens (Human))	BDBM50178961 (CHEMBL2385268) Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4| Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay				Bioorg Med Chem Lett 26: 3274-3277 (2016) Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Plasmodium falciparum (isolate 3D7))	BDBM50496902 (CHEMBL3237438) Show SMILES Cc1nn(C)c(C)c1Cc1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1 Show InChI InChI=1S/C22H25N5O2S/c1-13-17(14(2)27(3)26-13)12-19-24-25-22(29-19)21-20(28-15-8-10-23-11-9-15)16-6-4-5-7-18(16)30-21/h4-7,15,23H,8-12H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay				J Med Chem 57: 2773-88 (2014) Article DOI: 10.1021/jm500066b BindingDB Entry DOI: 10.7270/Q27084DV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211726 (CHEMBL403896 | FR-901451) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4cc5ccccc5[nH]4)NC2=O)C(=O)N[C@@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3)C(O)=O Show InChI InChI=1S/C61H81N13O18/c1-30(2)23-39-53(81)65-37-17-10-11-21-63-46(76)27-43(61(89)90)71-55(83)41-28-48(78)91-29-44(72-57(85)45-18-12-22-74(45)60(88)42(70-51(37)79)24-33-13-6-5-7-14-33)56(84)66-38(19-20-47(77)92-32(4)50(59(87)69-39)73-58(86)49(62)31(3)75)52(80)67-40(54(82)68-41)26-35-25-34-15-8-9-16-36(34)64-35/h5-9,13-16,25,30-32,37-45,49-50,64,75H,10-12,17-24,26-29,62H2,1-4H3,(H,63,76)(H,65,81)(H,66,84)(H,67,80)(H,68,82)(H,69,87)(H,70,79)(H,71,83)(H,72,85)(H,73,86)(H,89,90)/t31-,32+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50080264 (1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydr...) Show SMILES C\C=C1/NC(=O)[C@H]2NC(=O)[C@H](CCCNC(=O)Nc3cc(O)c(O)cc3C[C@H](N(C)C(=O)[C@H](Cc3ccccc3)N3[C@H](O)CC[C@H](NC1=O)C3=O)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)NC(=O)C(C)C Show InChI InChI=1S/C47H63N9O13/c1-8-28-40(61)51-30-16-17-36(59)56(44(30)65)33(19-26-13-10-9-11-14-26)45(66)55(7)32-20-27-21-34(57)35(58)22-31(27)52-47(68)48-18-12-15-29(50-39(60)24(4)5)41(62)54-38(43(64)49-28)25(6)69-46(67)37(23(2)3)53-42(32)63/h8-11,13-14,21-25,29-30,32-33,36-38,57-59H,12,15-20H2,1-7H3,(H,49,64)(H,50,60)(H,51,61)(H,53,63)(H,54,62)(H2,48,52,68)/b28-8-/t25-,29-,30-,32-,33-,36+,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19969 ((2S,6R,7S)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	14.5	-44.3	n/a	n/a	32.5	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Plasmodium falciparum (isolate 3D7))	BDBM50496896 (CHEMBL3237425) Show SMILES COc1cc(Cc2nc(no2)-c2sc3ccccc3c2OC2CCNCC2)cc(OC)c1 Show InChI InChI=1S/C24H25N3O4S/c1-28-17-11-15(12-18(14-17)29-2)13-21-26-24(27-31-21)23-22(30-16-7-9-25-10-8-16)19-5-3-4-6-20(19)32-23/h3-6,11-12,14,16,25H,7-10,13H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay				J Med Chem 57: 2773-88 (2014) Article DOI: 10.1021/jm500066b BindingDB Entry DOI: 10.7270/Q27084DV
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Plasmodium falciparum (isolate 3D7))	BDBM50496912 (CHEMBL3237422) Show SMILES COc1cc(Cc2noc(n2)-c2sc3ccccc3c2OC2CCNCC2)cc(OC)c1 Show InChI InChI=1S/C24H25N3O4S/c1-28-17-11-15(12-18(14-17)29-2)13-21-26-24(31-27-21)23-22(30-16-7-9-25-10-8-16)19-5-3-4-6-20(19)32-23/h3-6,11-12,14,16,25H,7-10,13H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay				J Med Chem 57: 2773-88 (2014) Article DOI: 10.1021/jm500066b BindingDB Entry DOI: 10.7270/Q27084DV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586394 (CHEMBL5078351) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01918 BindingDB Entry DOI: 10.7270/Q2B85D1S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586395 (CHEMBL5069696) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C(F)(F)F)c3s2)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01918 BindingDB Entry DOI: 10.7270/Q2B85D1S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586396 (CHEMBL5079705) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01918 BindingDB Entry DOI: 10.7270/Q2B85D1S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM302860 ((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r| Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01918 BindingDB Entry DOI: 10.7270/Q2B85D1S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50006730 ((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...) Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitby Research, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 265: 227-36 (1993) BindingDB Entry DOI: 10.7270/Q23J3BGM
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50148269 (CHEMBL3770219) Show SMILES Cc1nn(C)c(C)c1Cc1nnc(o1)-c1cc(Cl)ccc1OC1CCNCC1 Show InChI InChI=1S/C20H24ClN5O2/c1-12-16(13(2)26(3)25-12)11-19-23-24-20(28-19)17-10-14(21)4-5-18(17)27-15-6-8-22-9-7-15/h4-5,10,15,22H,6-9,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Binding affinity to human N-myristoyltransferase by fluorescence analysis				Medchemcomm 6: 1761-1766 (2016) BindingDB Entry DOI: 10.7270/Q2TB18R2
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50311138 (CHEMBL1077421) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-4-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-4)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-3=O)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-2)-[#6](-[#6])-[#6] |r| Show InChI InChI=1S/C136H215N47O46S6/c1-12-63(9)104-130(227)175-84-56-232-231-55-83-122(219)166-71(22-16-34-149-135(143)144)114(211)165-72(23-17-35-150-136(145)146)115(212)168-77(42-100(199)200)118(215)171-81(53-186)121(218)169-78(43-101(201)202)119(216)176-86-58-234-230-54-82(174-117(214)74(39-66-26-28-67(187)29-27-66)159-94(192)48-154-110(207)75(40-91(138)189)160-95(193)47-153-109(206)70(164-123(84)220)21-15-33-148-134(141)142)113(210)156-50-96(194)161-79(51-184)112(209)155-49-97(195)162-80(52-185)120(217)167-76(41-99(197)198)111(208)152-44-92(190)151-45-98(196)178-102(61(5)6)127(224)177-87(59-235-233-57-85(124(221)180-104)172-107(204)65(11)158-93(191)46-157-125(222)88-24-18-36-182(88)131(86)228)132(229)183-37-19-25-89(183)126(223)179-103(62(7)8)128(225)181-105(64(10)13-2)129(226)170-73(38-60(3)4)116(213)163-69(30-31-90(137)188)106(203)68(108(205)173-83)20-14-32-147-133(139)140/h26-29,60-65,68-89,102-105,184-187H,12-25,30-59H2,1-11H3,(H2,137,188)(H2,138,189)(H,151,190)(H,152,208)(H,153,206)(H,154,207)(H,155,209)(H,156,210)(H,157,222)(H,158,191)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,213)(H,164,220)(H,165,211)(H,166,219)(H,167,217)(H,168,212)(H,169,218)(H,170,226)(H,171,215)(H,172,204)(H,173,205)(H,174,214)(H,175,227)(H,176,216)(H,177,224)(H,178,196)(H,179,223)(H,180,221)(H,181,225)(H,197,198)(H,199,200)(H,201,202)(H4,139,140,147)(H4,141,142,148)(H4,143,144,149)(H4,145,146,150)/t63-,64-,65-,68?,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,102-,103-,104-,105-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London SW7 2AZ Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase by substrate hydrolysis based fluorescence assay				J Med Chem 52: 6197-200 (2009) Article DOI: 10.1021/jm901233u BindingDB Entry DOI: 10.7270/Q2FT8M5N
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50110733 (CHEMBL3605929) Show SMILES COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C17H16F2N2O3S/c1-9-16(12-5-4-10(18)8-15(12)24-2)13-6-11(19)7-14(17(13)20-9)21-25(3,22)23/h4-8,20-21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50110743 (CHEMBL3605924) Show SMILES COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1 |(-3.72,2.76,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;.3,-.77,;1.76,-1.24,;2.66,.02,;3.89,.03,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.55,4.52,;3.38,5.55,;1.86,5.34,;1.29,3.91,;-.24,3.69,;-1,4.66,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C18H19FN2O4S/c1-10-17(13-7-11(19)5-6-16(13)25-3)14-8-12(24-2)9-15(18(14)20-10)21-26(4,22)23/h5-9,20-21H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50135488 (CHEMBL3754571) Show SMILES C(c1noc(n1)-c1cccnc1OC1CCNCC1)c1cccc2ncccc12 Show InChI InChI=1S/C22H21N5O2/c1-4-15(17-5-2-10-24-19(17)7-1)14-20-26-22(29-27-20)18-6-3-11-25-21(18)28-16-8-12-23-13-9-16/h1-7,10-11,16,23H,8-9,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay				Medchemcomm 6: 1767-1772 (2016) BindingDB Entry DOI: 10.7270/Q27M09RK
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Plasmodium falciparum (isolate 3D7))	BDBM50496904 (CHEMBL3237412) Show SMILES COc1cc(CCOC(=O)c2sc3ccccc3c2OC2CCNCC2)cc(OC)c1 Show InChI InChI=1S/C24H27NO5S/c1-27-18-13-16(14-19(15-18)28-2)9-12-29-24(26)23-22(30-17-7-10-25-11-8-17)20-5-3-4-6-21(20)31-23/h3-6,13-15,17,25H,7-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay				J Med Chem 57: 2773-88 (2014) Article DOI: 10.1021/jm500066b BindingDB Entry DOI: 10.7270/Q27084DV
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50110736 (CHEMBL3605933) Show SMILES COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12 Show InChI InChI=1S/C16H16N2O3S/c1-21-15-9-4-3-6-11(15)13-10-17-16-12(13)7-5-8-14(16)18-22(2,19)20/h3-10,17-18H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50027680 (CHEMBL3357975) Show SMILES N[C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c1ccc(Cl)c(NC(=O)Cc2ccc(F)cc2)c1)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H30Cl2FN3O3/c30-22-6-1-18(2-7-22)11-24(33)14-29(38)35-15-21(17-36)25(16-35)20-5-10-26(31)27(13-20)34-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,36H,11-12,14-17,33H2,(H,34,37)/t21-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human NMT1 using GSNKSKPKDASQRRR-NH2 as substrate by CPM fluorescence assay				J Med Chem 57: 8664-70 (2014) Article DOI: 10.1021/jm5011397 BindingDB Entry DOI: 10.7270/Q2X63PJN
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586389 (CHEMBL5093568) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5Cl)CC4)c3s2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01918 BindingDB Entry DOI: 10.7270/Q2B85D1S
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50110789 (CHEMBL3605934) Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O2S/c1-21(19,20)18-14-4-2-3-12-13(9-17-15(12)14)10-5-7-11(16)8-6-10/h2-9,17-18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50311137 (CHEMBL1077420) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-4-[#6]-[#6]-[#6]-[#7]-4-[#6](=O)-[#6@@H]-4-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c5ccc(-[#8])cc5)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-4)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6]-3=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-2 |r| Show InChI InChI=1S/C134H211N47O46S6/c1-11-61(7)102-127(224)169-72(37-59(3)4)115(212)162-68(29-30-89(135)186)104(201)67(19-13-31-145-131(137)138)107(204)172-82-54-229-230-55-83-122(219)163-69(20-14-32-146-132(139)140)108(205)151-46-94(191)159-74(39-90(136)187)109(206)152-47-93(190)158-73(38-65-25-27-66(185)28-26-65)116(213)173-81-53-228-232-57-85(175-118(215)77(42-100(199)200)168-120(217)80(52-184)170-117(214)76(41-99(197)198)167-114(211)71(22-16-34-148-134(143)144)164-113(210)70(165-121(82)218)21-15-33-147-133(141)142)129(226)180-35-17-23-87(180)124(221)155-45-92(189)156-63(9)105(202)171-84(123(220)179-103(62(8)12-2)128(225)174-83)56-231-233-58-86(130(227)181-36-18-24-88(181)125(222)157-64(10)106(203)178-102)176-126(223)101(60(5)6)177-97(194)44-149-91(188)43-150-110(207)75(40-98(195)196)166-119(216)79(51-183)161-96(193)48-153-111(208)78(50-182)160-95(192)49-154-112(81)209/h25-28,59-64,67-88,101-103,182-185H,11-24,29-58H2,1-10H3,(H2,135,186)(H2,136,187)(H,149,188)(H,150,207)(H,151,205)(H,152,206)(H,153,208)(H,154,209)(H,155,221)(H,156,189)(H,157,222)(H,158,190)(H,159,191)(H,160,192)(H,161,193)(H,162,212)(H,163,219)(H,164,210)(H,165,218)(H,166,216)(H,167,211)(H,168,217)(H,169,224)(H,170,214)(H,171,202)(H,172,204)(H,173,213)(H,174,225)(H,175,215)(H,176,223)(H,177,194)(H,178,203)(H,179,220)(H,195,196)(H,197,198)(H,199,200)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)(H4,143,144,148)/t61-,62-,63-,64-,67?,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,101-,102-,103-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London SW7 2AZ Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase by substrate hydrolysis based fluorescence assay				J Med Chem 52: 6197-200 (2009) Article DOI: 10.1021/jm901233u BindingDB Entry DOI: 10.7270/Q2FT8M5N
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50039998 (CHEMBL99129 | [(S)-1-((S)-1-Ethylcarbamoyl-butylca...) Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCC Show InChI InChI=1S/C21H33N3O4/c1-5-10-17(19(25)22-6-2)23-20(26)18(13-15(3)4)24-21(27)28-14-16-11-8-7-9-12-16/h7-9,11-12,15,17-18H,5-6,10,13-14H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of porcine erythrocyte calpain 1.				J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Plasmodium falciparum (isolate 3D7))	BDBM50496914 (CHEMBL3237428) Show SMILES COc1cccc(Cc2nnc(o2)-c2sc3ccccc3c2OC2CCNCC2)c1 Show InChI InChI=1S/C23H23N3O3S/c1-27-17-6-4-5-15(13-17)14-20-25-26-23(29-20)22-21(28-16-9-11-24-12-10-16)18-7-2-3-8-19(18)30-22/h2-8,13,16,24H,9-12,14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay				J Med Chem 57: 2773-88 (2014) Article DOI: 10.1021/jm500066b BindingDB Entry DOI: 10.7270/Q27084DV
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) Show SMILES CCNC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c1-4-26-23(29)22(16-19-11-7-5-8-12-19)27-24(30)21(15-18(2)3)28-25(31)32-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t21-,22?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity on human calpain 2 from placenta				J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50040007 (CHEMBL316932 | [(S)-1-((S)-1-Ethylcarbamoyl-2-phen...) Show SMILES CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c1-4-26-23(29)22(16-19-11-7-5-8-12-19)27-24(30)21(15-18(2)3)28-25(31)32-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of porcine erythrocyte calpain 1.				J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50110743 (CHEMBL3605924) Show SMILES COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1 |(-3.72,2.76,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;.3,-.77,;1.76,-1.24,;2.66,.02,;3.89,.03,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.55,4.52,;3.38,5.55,;1.86,5.34,;1.29,3.91,;-.24,3.69,;-1,4.66,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C18H19FN2O4S/c1-10-17(13-7-11(19)5-6-16(13)25-3)14-8-12(24-2)9-15(18(14)20-10)21-26(4,22)23/h5-9,20-21H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Bos taurus)	BDBM50039995 (CHEMBL98777 | [(S)-1-(1-Ethylcarbamoyl-2-phenyl-et...) Show SMILES CCNC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c1-4-26-23(29)22(16-19-11-7-5-8-12-19)27-24(30)21(15-18(2)3)28-25(31)32-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t21-,22?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity on bovine calpain 2 from heart				J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110739 (CHEMBL3605923) Show SMILES COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C17H18N2O3S/c1-11-16(12-7-5-4-6-8-12)14-9-13(22-2)10-15(17(14)18-11)19-23(3,20)21/h4-10,18-19H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair

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