BDBM50172204 (1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid (1-phenyl-cyclohexylmethyl)-amide::CHEMBL372612

SMILES: C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1

InChI Key: InChIKey=JEXLPLDYRYUENX-CMYDWJSCSA-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 = 50172204   

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))	BDBM50172204 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50172204 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/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 Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	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-beta (Homo sapiens (Human))	BDBM50172204 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50172204 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/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 Patents Similars	Article PubMed	n/a	n/a	50	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