BDBM50197433 4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)-phenyl]-methyl-amino}-acetyl)-amino]-methyl}-benzoic acid::CHEMBL388018

SMILES: CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1

InChI Key: InChIKey=HDSCFVIRPIBCNU-GZKQBEFDSA-N

Data: 3 KI

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 3 hits for monomerid = 50197433   

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))	BDBM50197433 (4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1 |c:18,t:11| Show InChI InChI=1S/C44H45BrN2O5/c1-4-22-44(52)23-21-39-37-19-11-31-24-35(48)18-20-36(31)41(37)38(25-43(39,44)2)29-9-14-33(15-10-29)46(3)27-40(49)47(34-16-12-32(45)13-17-34)26-28-5-7-30(8-6-28)42(50)51/h5-10,12-17,24,37-39,52H,11,18-21,23,25-27H2,1-3H3,(H,50,51)/t37-,38+,39-,43-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of radiolabeled Dexamethasone from human GR				Bioorg Med Chem Lett 17: 40-4 (2006) Article DOI: 10.1016/j.bmcl.2006.10.001 BindingDB Entry DOI: 10.7270/Q2DR2W9G
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50197433 (4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1 |c:18,t:11| Show InChI InChI=1S/C44H45BrN2O5/c1-4-22-44(52)23-21-39-37-19-11-31-24-35(48)18-20-36(31)41(37)38(25-43(39,44)2)29-9-14-33(15-10-29)46(3)27-40(49)47(34-16-12-32(45)13-17-34)26-28-5-7-30(8-6-28)42(50)51/h5-10,12-17,24,37-39,52H,11,18-21,23,25-27H2,1-3H3,(H,50,51)/t37-,38+,39-,43-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GR transcriptional activation by HepTAT cells				Bioorg Med Chem Lett 17: 40-4 (2006) Article DOI: 10.1016/j.bmcl.2006.10.001 BindingDB Entry DOI: 10.7270/Q2DR2W9G
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50197433 (4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1 |c:18,t:11| Show InChI InChI=1S/C44H45BrN2O5/c1-4-22-44(52)23-21-39-37-19-11-31-24-35(48)18-20-36(31)41(37)38(25-43(39,44)2)29-9-14-33(15-10-29)46(3)27-40(49)47(34-16-12-32(45)13-17-34)26-28-5-7-30(8-6-28)42(50)51/h5-10,12-17,24,37-39,52H,11,18-21,23,25-27H2,1-3H3,(H,50,51)/t37-,38+,39-,43-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GR expressed in hGRAF cells				Bioorg Med Chem Lett 17: 40-4 (2006) Article DOI: 10.1016/j.bmcl.2006.10.001 BindingDB Entry DOI: 10.7270/Q2DR2W9G
					More data for this Ligand-Target Pair