BDBM50135094 CHEMBL3745746

SMILES: [H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@H](-[#8])-[#6]C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1

InChI Key: InChIKey=WXLRHTRHXMQDDM-SEADGHMKSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50135094   

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))	BDBM50135094 (CHEMBL3745746) Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@H](-[#8])-[#6]C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16| Show InChI InChI=1S/C35H46O3/c1-23-32(37)17-24(18-33(23)38)9-10-28-6-5-13-34(2)29(11-12-31(28)34)7-3-4-8-30(36)22-35-19-25-14-26(20-35)16-27(15-25)21-35/h9-10,25-27,29-33,36-38H,1,5-6,11-22H2,2H3/b28-10+/t25?,26?,27?,29-,30-,31-,32+,33+,34+,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Agonist activity at VDR in human HEK293 cells assessed as transcriptional activity after 16 to 24 hrs by luciferase reporter gene assay				J Med Chem 58: 9510-21 (2015) BindingDB Entry DOI: 10.7270/Q22V2HZC
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50135094 (CHEMBL3745746) Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@H](-[#8])-[#6]C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16| Show InChI InChI=1S/C35H46O3/c1-23-32(37)17-24(18-33(23)38)9-10-28-6-5-13-34(2)29(11-12-31(28)34)7-3-4-8-30(36)22-35-19-25-14-26(20-35)16-27(15-25)21-35/h9-10,25-27,29-33,36-38H,1,5-6,11-22H2,2H3/b28-10+/t25?,26?,27?,29-,30-,31-,32+,33+,34+,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domain				J Med Chem 58: 9510-21 (2015) BindingDB Entry DOI: 10.7270/Q22V2HZC
					More data for this Ligand-Target Pair