BDBM50326952 (R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,1-trifluoro-4-(2-methoxy-5-(pyrimidin-5-yl)phenyl)-4-methylpentan-2-ol::CHEMBL1254264

SMILES: COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1

InChI Key: InChIKey=XBQOGUUBKKKKHI-DEOSSOPVSA-N

Data: 9 IC50  1 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 10 hits for monomerid = 50326952   

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))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	>2.00E+3	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Transactivation activity at glucocorticoid receptor in HFF assessed as induction of aromatase activity after 18 to 24 hrs by ELISA				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled RU-486 by fluorescence po...				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Transactivation activity at glucocorticoid receptor in human HeLa cells transfected with luciferase gene linked to MMTV promoter by luciferase assay				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50326952 ((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...) Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r| Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled RU-486 by fluorescence po...				J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X
					More data for this Ligand-Target Pair