Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50000741   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203424 (CHEMBL3893393) Show SMILES CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H23ClF4N2O2S/c1-4-33-12-22(31,23(26,27)28)21(15-10-11-18(32-3)20(25)19(15)24)30-17-7-5-6-16-14(17)9-8-13(2)29-16/h5-11,21,30-31H,4,12H2,1-3H3/t21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/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	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259977 (CHEMBL4082878) Show SMILES CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,15-6-4-7-16(23)18(15)29)11-21(31,22(24,25)26)12-28-17-8-3-5-14-13(17)9-10-27-19(14)30/h3-10,28-29,31H,11-12H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50416869 (CHEMBL1257572) Show SMILES Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1 Show InChI InChI=1S/C23H24F4N2O2/c1-14-7-9-16-18(5-4-6-19(16)29-14)28-13-22(31,23(25,26)27)12-21(2,3)17-11-15(24)8-10-20(17)30/h4-11,28,30-31H,12-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259978 (CHEMBL4069357) Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N2O2/c1-3-13-11-22(31,23(25,26)27)21(15-9-10-16(24)20(30)19(13)15)29-18-6-4-5-17-14(18)8-7-12(2)28-17/h4-10,13,21,29-31H,3,11H2,1-2H3/t13-,21+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203426 (CHEMBL3962413) Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c12)C(F)(F)F |r| Show InChI InChI=1S/C22H19F5N2O3/c1-2-10-9-21(32,22(25,26)27)20(12-8-13(23)18(24)19(31)17(10)12)29-15-5-3-4-14-11(15)6-7-16(30)28-14/h3-8,10,20,29,31-32H,2,9H2,1H3,(H,28,30)/t10-,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259979 (CHEMBL4090392) Show SMILES CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F |r| Show InChI InChI=1S/C22H20F5N3O2/c1-3-11-8-21(32,22(25,26)27)20(13-4-5-15(24)19(31)18(11)13)30-17-7-12(23)6-16-14(17)9-28-10(2)29-16/h4-7,9,11,20,30-32H,3,8H2,1-2H3/t11-,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259981 (CHEMBL4085241) Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)18(13-6-7-14(23)17(29)16(13)20)28-15-5-3-4-12-11(15)8-9-27-19(12)30/h3-9,18,28-29,31H,10H2,1-2H3,(H,27,30)/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259980 (CHEMBL4092066) Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)19(12-6-8-13(23)18(30)17(12)20)28-15-5-3-4-14-11(15)7-9-16(29)27-14/h3-9,19,28,30-31H,10H2,1-2H3,(H,27,29)/t19-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259984 (CHEMBL4072079) Show SMILES CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F |r| Show InChI InChI=1S/C22H20BrF3N2O3/c1-12(2)11-21(31,22(24,25)26)19(16-10-13(23)6-7-18(16)29)28-17-5-3-4-15-14(17)8-9-27-20(15)30/h3-10,19,28-29,31H,1,11H2,2H3,(H,27,30)/t19-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259986 (CHEMBL4098118) Show SMILES C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N2O2/c1-11-10-21(30,22(24,25)26)20(14-8-9-15(23)19(29)18(11)14)28-17-5-3-4-16-13(17)7-6-12(2)27-16/h3-9,11,20,28-30H,10H2,1-2H3/t11-,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50259985 (CHEMBL4064352) Show SMILES Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1 |r| Show InChI InChI=1S/C22H20F5N3O2/c1-10-28-8-13-15(29-10)6-11(23)7-16(13)30-19-12-4-5-14(24)18(31)17(12)20(2,3)9-21(19,32)22(25,26)27/h4-8,19,30-32H,9H2,1-3H3/t19-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibit...				Bioorg Med Chem Lett 27: 437-442 (2017) Article DOI: 10.1016/j.bmcl.2016.12.047 BindingDB Entry DOI: 10.7270/Q2WH2SFZ
					More data for this Ligand-Target Pair