BDBM50368938 CHEMBL4162539

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(cc1)N1CCCC1

InChI Key: InChIKey=XHEYCPMWVXEPFA-GAXVQCDJSA-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 = 50368938   

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))	BDBM50368938 (CHEMBL4162539 | US11124537, TABLE 3.7.2) 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(cc1)N1CCCC1 |r,c:17,23| Show InChI InChI=1S/C34H43NO2/c1-32(2,3)17-18-34(37)16-15-30-28-13-9-24-21-26(36)12-14-27(24)31(28)29(22-33(30,34)4)23-7-10-25(11-8-23)35-19-5-6-20-35/h7-8,10-11,21,28-30,37H,5-6,9,12-16,19-20,22H2,1-4H3/t28-,29+,30-,33-,34+/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	20	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))	BDBM50368938 (CHEMBL4162539 | US11124537, TABLE 3.7.2) 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(cc1)N1CCCC1 |r,c:17,23| Show InChI InChI=1S/C34H43NO2/c1-32(2,3)17-18-34(37)16-15-30-28-13-9-24-21-26(36)12-14-27(24)31(28)29(22-33(30,34)4)23-7-10-25(11-8-23)35-19-5-6-20-35/h7-8,10-11,21,28-30,37H,5-6,9,12-16,19-20,22H2,1-4H3/t28-,29+,30-,33-,34+/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
Androgen receptor (Homo sapiens (Human))	BDBM50368938 (CHEMBL4162539 | US11124537, TABLE 3.7.2) 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(cc1)N1CCCC1 |r,c:17,23| Show InChI InChI=1S/C34H43NO2/c1-32(2,3)17-18-34(37)16-15-30-28-13-9-24-21-26(36)12-14-27(24)31(28)29(22-33(30,34)4)23-7-10-25(11-8-23)35-19-5-6-20-35/h7-8,10-11,21,28-30,37H,5-6,9,12-16,19-20,22H2,1-4H3/t28-,29+,30-,33-,34+/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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368938 (CHEMBL4162539 | US11124537, TABLE 3.7.2) 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(cc1)N1CCCC1 |r,c:17,23| Show InChI InChI=1S/C34H43NO2/c1-32(2,3)17-18-34(37)16-15-30-28-13-9-24-21-26(36)12-14-27(24)31(28)29(22-33(30,34)4)23-7-10-25(11-8-23)35-19-5-6-20-35/h7-8,10-11,21,28-30,37H,5-6,9,12-16,19-20,22H2,1-4H3/t28-,29+,30-,33-,34+/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