BDBM50172203 (1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid (2,2-diphenyl-propyl)-amide::CHEMBL365750

SMILES: CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FCQLLWXAPLXYQV-HQMADOEBSA-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 = 50172203   

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))	BDBM50172203 ((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...) Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/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))	BDBM50172203 ((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...) Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/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	360	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))	BDBM50172203 ((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...) Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/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	490	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))	BDBM50172203 ((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-oc...) Show SMILES CC(CNC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccccc21)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37NO/c1-30-21-12-22-31(2,28(30)20-19-24-13-10-11-18-27(24)30)29(34)33-23-32(3,25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,13-18,28H,12,19-23H2,1-3H3,(H,33,34)/t28-,30-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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