Found 6 hits for monomerid = 30329 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 |
|---|
Bile acid receptor
(Homo sapiens (Human)) | BDBM30329
(Naphthoic acid-based analog, 1b)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | 7.5 | 22 |
GSK
| Assay Description
The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy... |
Bioorg Med Chem Lett 18: 4339-43 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM30329
(Naphthoic acid-based analog, 1b)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer... |
Bioorg Med Chem Lett 18: 4339-43 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM30329
(Naphthoic acid-based analog, 1b)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human FXR LBD transfected in african green monkey CV1 cells after overnight incubation by luciferase reporter gene assay |
Bioorg Med Chem Lett 21: 6154-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.034
BindingDB Entry DOI: 10.7270/Q2SB4640 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM30329
(Naphthoic acid-based analog, 1b)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human FXR LBD iexpressed in monkey CV-1 cells assessed as transactivation of luciferase reporter gene expression |
Bioorg Med Chem Lett 21: 1206-13 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM30329
(Naphthoic acid-based analog, 1b)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human amino-terminal polyhistidine-tagged FXR alpha LBD (amino acids 237 to 472) assessed as cofactor peptide SRC-1 interaction w... |
Bioorg Med Chem Lett 21: 6154-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.034
BindingDB Entry DOI: 10.7270/Q2SB4640 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM30329
(Naphthoic acid-based analog, 1b)Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human FXR LBD assessed as SRC1 peptide recruitment by FRET assay |
Bioorg Med Chem Lett 21: 1206-13 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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