BDBM50048346 CHEMBL3315068::US9593113, Example 48

SMILES: CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O

InChI Key: InChIKey=MDMKCVXYKPOLIM-NRFANRHFSA-N

Data: 3 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50048346   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048346 (CHEMBL3315068 | US9593113, Example 48) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048346 (CHEMBL3315068 | US9593113, Example 48) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50048346 (CHEMBL3315068 | US9593113, Example 48) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048346 (CHEMBL3315068 | US9593113, Example 48) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	277	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human whole blood assessed as inhibition of LPS-induced TNF production incubated for 20 hrs prior to L...				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048346 (CHEMBL3315068 | US9593113, Example 48) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as E-selectin transrepression by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048346 (CHEMBL3315068 | US9593113, Example 48) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as AP-1 transrepression by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048346 (CHEMBL3315068 | US9593113, Example 48) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	143	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human HeLa cells assessed as NP-1 transactivation by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair