Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50198707'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50198707 ((2E)-(20S)-1alpha,25-dihydroxy-2-[2''-(fluoroethyl...) Show SMILES C[C@@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,1.0,wD:29.31,(25.28,-25.48,;26.31,-26.62,;27.81,-26.31,;28.29,-24.84,;29.8,-24.53,;30.28,-23.07,;31.76,-23.5,;28.8,-22.64,;30.67,-21.57,;25.82,-28.08,;26.72,-29.33,;25.81,-30.57,;24.35,-30.1,;23.01,-30.86,;21.68,-30.09,;21.69,-28.55,;23.02,-27.77,;24.35,-28.56,;24.34,-27.01,;23.01,-32.4,;21.69,-33.17,;21.69,-34.71,;23.01,-35.49,;23.01,-37.03,;24.34,-37.8,;21.69,-37.79,;21.69,-39.33,;23.01,-40.1,;24.35,-39.33,;20.36,-37.03,;19.02,-37.8,;20.36,-35.49,)| Show InChI InChI=1S/C28H45FO3/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,13,19,23-26,30-32H,5-8,11-12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,23?,24?,25+,26+,28?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of human VDR induced-transcriptional transactivation of luciferase reporter gene in COS7 cells after 24 hrs				Bioorg Med Chem 15: 1475-82 (2007) Article DOI: 10.1016/j.bmc.2006.10.069 BindingDB Entry DOI: 10.7270/Q2TT4QK5
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50198707 ((2E)-(20S)-1alpha,25-dihydroxy-2-[2''-(fluoroethyl...) Show SMILES C[C@@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,1.0,wD:29.31,(25.28,-25.48,;26.31,-26.62,;27.81,-26.31,;28.29,-24.84,;29.8,-24.53,;30.28,-23.07,;31.76,-23.5,;28.8,-22.64,;30.67,-21.57,;25.82,-28.08,;26.72,-29.33,;25.81,-30.57,;24.35,-30.1,;23.01,-30.86,;21.68,-30.09,;21.69,-28.55,;23.02,-27.77,;24.35,-28.56,;24.34,-27.01,;23.01,-32.4,;21.69,-33.17,;21.69,-34.71,;23.01,-35.49,;23.01,-37.03,;24.34,-37.8,;21.69,-37.79,;21.69,-39.33,;23.01,-40.1,;24.35,-39.33,;20.36,-37.03,;19.02,-37.8,;20.36,-35.49,)| Show InChI InChI=1S/C28H45FO3/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,13,19,23-26,30-32H,5-8,11-12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,23?,24?,25+,26+,28?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of human VDR induced-transcriptional transactivation of luciferase reporter gene in COS7 cells after 24 hrs				Bioorg Med Chem 15: 1475-82 (2007) Article DOI: 10.1016/j.bmc.2006.10.069 BindingDB Entry DOI: 10.7270/Q2TT4QK5
					More data for this Ligand-Target Pair