Found 8 hits of Enzyme Inhibition Constant Data 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)) | BDBM50124509
(CHEMBL3623498)Show SMILES [H][C@@]12CC[C@]([H])([C@@](C)(O)CC[C@@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O4/c1-17(2)23(29)12-14-27(5,31)25-11-10-22-19(7-6-13-26(22,25)4)8-9-20-15-21(28)16-24(30)18(20)3/h8-9,17,21-25,28-31H,3,6-7,10-16H2,1-2,4-5H3/b19-8+,20-9-/t21-,22+,23-,24+,25+,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human Caco2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50124417
(1Alpha,25-Dihydroxy-22-Oxavitamin D3 | 22-Oxacalci...)Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)OCCC(C)(C)O Show InChI InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human Caco2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 322 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human HaCaT cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50124508
(CHEMBL3623500)Show SMILES [H][C@@]12CC[C@]([H])([C@@](C)(O)CC[C@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O4/c1-17(2)23(29)12-14-27(5,31)25-11-10-22-19(7-6-13-26(22,25)4)8-9-20-15-21(28)16-24(30)18(20)3/h8-9,17,21-25,28-31H,3,6-7,10-16H2,1-2,4-5H3/b19-8+,20-9-/t21-,22+,23+,24+,25+,26+,27+/m1/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 | 208 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human Caco2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50124508
(CHEMBL3623500)Show SMILES [H][C@@]12CC[C@]([H])([C@@](C)(O)CC[C@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O4/c1-17(2)23(29)12-14-27(5,31)25-11-10-22-19(7-6-13-26(22,25)4)8-9-20-15-21(28)16-24(30)18(20)3/h8-9,17,21-25,28-31H,3,6-7,10-16H2,1-2,4-5H3/b19-8+,20-9-/t21-,22+,23+,24+,25+,26+,27+/m1/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 | 271 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human HaCaT cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 515 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human Caco2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50124417
(1Alpha,25-Dihydroxy-22-Oxavitamin D3 | 22-Oxacalci...)Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)OCCC(C)(C)O Show InChI InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human HaCaT cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50124509
(CHEMBL3623498)Show SMILES [H][C@@]12CC[C@]([H])([C@@](C)(O)CC[C@@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O4/c1-17(2)23(29)12-14-27(5,31)25-11-10-22-19(7-6-13-26(22,25)4)8-9-20-15-21(28)16-24(30)18(20)3/h8-9,17,21-25,28-31H,3,6-7,10-16H2,1-2,4-5H3/b19-8+,20-9-/t21-,22+,23-,24+,25+,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Transactivation of VDR in human HaCaT cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881
BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this
Ligand-Target Pair | |
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