BDBM50172193 (4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid phenethyl-amide::CHEMBL196145

SMILES: C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1

InChI Key: InChIKey=DYNZVVWJZHKCKP-GPXOXTDOSA-N

Data: 2 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 = 50172193   

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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50172193 ((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50172193 ((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50172193 ((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA alpha binding assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50172193 ((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H31NO2/c1-24-14-6-15-25(2,23(28)26-16-13-18-7-4-3-5-8-18)22(24)12-10-19-9-11-20(27)17-21(19)24/h3-5,7-9,11,17,22,27H,6,10,12-16H2,1-2H3,(H,26,28)/t22-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA beta binding assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair