Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with all data for entry = 50046787
TargetVitamin D3 receptor(Homo sapiens (Human))
National Institute of Health Sciences

Curated by ChEMBL
LigandPNGBDBM50329706((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
Affinity DataEC50:  10nMAssay Description:Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity ...More data for this Ligand-Target Pair
TargetVitamin D3 receptor(Homo sapiens (Human))
National Institute of Health Sciences

Curated by ChEMBL
LigandPNGBDBM50131048(CHEMBL3633590)
Show SMILES CCCCCCOC(C)(C)[C@@H](O)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC[C@@H](O)CO)c(C)c1
Show InChI InChI=1S/C33H52O6/c1-8-11-12-13-18-39-32(6,7)31(36)23-38-30-17-15-27(20-25(30)5)33(9-2,10-3)26-14-16-29(24(4)19-26)37-22-28(35)21-34/h14-17,19-20,28,31,34-36H,8-13,18,21-23H2,1-7H3/t28-,31-/m0/s1
Affinity DataEC50:  1.50E+3nMAssay Description:Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity ...More data for this Ligand-Target Pair
TargetVitamin D3 receptor(Homo sapiens (Human))
National Institute of Health Sciences

Curated by ChEMBL
LigandPNGBDBM50131058(CHEMBL3633741)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)OCCCCCCCCO)c(C)c1
Show InChI InChI=1S/C35H56O7/c1-7-35(8-2,28-15-17-31(26(3)21-28)40-24-30(38)23-37)29-16-18-32(27(4)22-29)41-25-33(39)34(5,6)42-20-14-12-10-9-11-13-19-36/h15-18,21-22,30,33,36-39H,7-14,19-20,23-25H2,1-6H3/t30-,33+/m0/s1
Affinity DataEC50: >3.00E+3nMAssay Description:Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity ...More data for this Ligand-Target Pair
TargetVitamin D3 receptor(Homo sapiens (Human))
National Institute of Health Sciences

Curated by ChEMBL
LigandPNGBDBM50131057(CHEMBL3633740)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)OCCCCCCCCO)c(C)c1
Show InChI InChI=1S/C35H56O7/c1-7-35(8-2,28-15-17-31(26(3)21-28)40-24-30(38)23-37)29-16-18-32(27(4)22-29)41-25-33(39)34(5,6)42-20-14-12-10-9-11-13-19-36/h15-18,21-22,30,33,36-39H,7-14,19-20,23-25H2,1-6H3/t30-,33-/m0/s1
Affinity DataEC50:  1.20E+3nMAssay Description:Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity ...More data for this Ligand-Target Pair
TargetVitamin D3 receptor(Homo sapiens (Human))
National Institute of Health Sciences

Curated by ChEMBL
LigandPNGBDBM50131056(CHEMBL3633591)
Show SMILES CCCCCCOC(C)(C)[C@H](O)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC[C@@H](O)CO)c(C)c1
Show InChI InChI=1S/C33H52O6/c1-8-11-12-13-18-39-32(6,7)31(36)23-38-30-17-15-27(20-25(30)5)33(9-2,10-3)26-14-16-29(24(4)19-26)37-22-28(35)21-34/h14-17,19-20,28,31,34-36H,8-13,18,21-23H2,1-7H3/t28-,31+/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity ...More data for this Ligand-Target Pair