BDBM50276168 (2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-2,7-diol::CHEMBL470785

SMILES: CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1

InChI Key: InChIKey=YTKAYWYQPDHXNV-NSISKUIASA-N

Data: 7 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 7 hits for monomerid = 50276168   

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
Androgen Receptor (Homo sapiens (Human))	BDBM50276168 ((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...) Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50276168 ((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...) Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50276168 ((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...) Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50276168 ((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...) Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/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	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Transrepression activity at GR in human SW1353 cells assessed as supression of NFkappaB-induced IL8 production				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50276168 ((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...) Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50276168 ((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...) Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human glucocorticoid receptor				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50276168 ((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...) Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair