BDBM50195146 (4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-5-(2-{4-[(10S,11S,14S,15S,17R)-14-hydroxy-15-methyl-5-oxo-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-17-yl]-2-methylphenoxy}ethoxy)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid::CHEMBL374507

SMILES: CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1

InChI Key: InChIKey=RGIOXPYENCJVNF-WQGUDYGMSA-N

Data: 2 IC50

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 2 hits for monomerid = 50195146   

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))	BDBM50195146 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C54H74O8/c1-7-20-54(60)22-19-42-39-12-9-34-26-36(55)11-13-38(34)49(39)40(30-52(42,54)5)33-10-16-46(32(3)25-33)62-24-23-61-37-18-21-51(4)35(27-37)28-45(56)50-43-15-14-41(31(2)8-17-48(58)59)53(43,6)47(57)29-44(50)51/h10,16,25-26,31,35,37,39-45,47,50,56-57,60H,8-9,11-15,17-19,21-24,27-30H2,1-6H3,(H,58,59)/t31-,35+,37+,39+,40-,41-,42+,43+,44+,45-,47+,50+,51+,52+,53-,54+/m1/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	30.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195146 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C54H74O8/c1-7-20-54(60)22-19-42-39-12-9-34-26-36(55)11-13-38(34)49(39)40(30-52(42,54)5)33-10-16-46(32(3)25-33)62-24-23-61-37-18-21-51(4)35(27-37)28-45(56)50-43-15-14-41(31(2)8-17-48(58)59)53(43,6)47(57)29-44(50)51/h10,16,25-26,31,35,37,39-45,47,50,56-57,60H,8-9,11-15,17-19,21-24,27-30H2,1-6H3,(H,58,59)/t31-,35+,37+,39+,40-,41-,42+,43+,44+,45-,47+,50+,51+,52+,53-,54+/m1/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair