BDBM50182484 (1R,3R)-5-{2-[1-((1R,5S)-5-adamantan-1-yl-5-hydroxy-1-methyl-pent-2-enyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-cyclohexane-1,3-diol::CHEMBL202613

SMILES: [#6]-[#6@H](\[#6]=[#6]\[#6]-[#6@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1

InChI Key: InChIKey=KBVMGHAMQVTDRZ-XUXCNIHKSA-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 = 50182484   

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
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50182484 ((1R,3R)-5-{2-[1-((1R,5S)-5-adamantan-1-yl-5-hydrox...) Show SMILES [#6]-[#6@H](\[#6]=[#6]\[#6]-[#6@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |TLB:10:11:9.14.8:15,THB:12:11:8:14.13.15,12:13:10.11.16:8,10:9:11.12.16:15| Show InChI InChI=1S/C34H52O3/c1-22(5-3-7-32(37)34-19-24-13-25(20-34)15-26(14-24)21-34)30-10-11-31-27(6-4-12-33(30,31)2)9-8-23-16-28(35)18-29(36)17-23/h3,5,8-9,22,24-26,28-32,35-37H,4,6-7,10-21H2,1-2H3/b5-3+,27-9+/t22-,24?,25?,26?,28-,29-,30?,31?,32+,33?,34?/m1/s1	PDB MMDB 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	50	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Antagonistic activity against human VDR in presence of 1,25(OH)2D3				J Med Chem 49: 1313-24 (2006) Article DOI: 10.1021/jm050795q BindingDB Entry DOI: 10.7270/Q23X867H
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50182484 ((1R,3R)-5-{2-[1-((1R,5S)-5-adamantan-1-yl-5-hydrox...) Show SMILES [#6]-[#6@H](\[#6]=[#6]\[#6]-[#6@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |TLB:10:11:9.14.8:15,THB:12:11:8:14.13.15,12:13:10.11.16:8,10:9:11.12.16:15| Show InChI InChI=1S/C34H52O3/c1-22(5-3-7-32(37)34-19-24-13-25(20-34)15-26(14-24)21-34)30-10-11-31-27(6-4-12-33(30,31)2)9-8-23-16-28(35)18-29(36)17-23/h3,5,8-9,22,24-26,28-32,35-37H,4,6-7,10-21H2,1-2H3/b5-3+,27-9+/t22-,24?,25?,26?,28-,29-,30?,31?,32+,33?,34?/m1/s1	PDB MMDB 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	400	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of transactivation of human VDR in COS7 cells				J Med Chem 49: 1313-24 (2006) Article DOI: 10.1021/jm050795q BindingDB Entry DOI: 10.7270/Q23X867H
					More data for this Ligand-Target Pair