BDBM50368973 CHEMBL4161483

SMILES: [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(C)c1

InChI Key: InChIKey=PWLQZIZXAQFNOL-ODIWJFPJSA-N

Data: 1 IC50  2 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 4 hits for monomerid = 50368973   

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))	BDBM50368973 (CHEMBL4161483 | US11124537, TABLE 3.11.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(C)c1 |r,c:17,23| Show InChI InChI=1S/C33H43NO2/c1-21-18-22(9-13-29(21)34(6)7)27-20-32(5)28(14-15-33(32,36)17-16-31(2,3)4)26-11-8-23-19-24(35)10-12-25(23)30(26)27/h9,13,18-19,26-28,36H,8,10-12,14-15,20H2,1-7H3/t26-,27+,28-,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368973 (CHEMBL4161483 | US11124537, TABLE 3.11.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(C)c1 |r,c:17,23| Show InChI InChI=1S/C33H43NO2/c1-21-18-22(9-13-29(21)34(6)7)27-20-32(5)28(14-15-33(32,36)17-16-31(2,3)4)26-11-8-23-19-24(35)10-12-25(23)30(26)27/h9,13,18-19,26-28,36H,8,10-12,14-15,20H2,1-7H3/t26-,27+,28-,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368973 (CHEMBL4161483 | US11124537, TABLE 3.11.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(C)c1 |r,c:17,23| Show InChI InChI=1S/C33H43NO2/c1-21-18-22(9-13-29(21)34(6)7)27-20-32(5)28(14-15-33(32,36)17-16-31(2,3)4)26-11-8-23-19-24(35)10-12-25(23)30(26)27/h9,13,18-19,26-28,36H,8,10-12,14-15,20H2,1-7H3/t26-,27+,28-,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human GR expressed in CHO-K1 cells incubated for 20 hrs by luciferase reporter gene assay				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50368973 (CHEMBL4161483 | US11124537, TABLE 3.11.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(C)c1 |r,c:17,23| Show InChI InChI=1S/C33H43NO2/c1-21-18-22(9-13-29(21)34(6)7)27-20-32(5)28(14-15-33(32,36)17-16-31(2,3)4)26-11-8-23-19-24(35)10-12-25(23)30(26)27/h9,13,18-19,26-28,36H,8,10-12,14-15,20H2,1-7H3/t26-,27+,28-,32-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at AR (unknown origin) expressed in human LNCaP cells incubated for 20 hrs by luciferase reporter gene assay				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair