BindingDB logo
myBDB logout

PDB code 3HC5

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bile acid receptor FXR

  (230/230 = 100%)
(Homo sapiens (human))
BDBM50297941
PNG
(3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)iso...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells


Bioorg Med Chem Lett 19: 4733-9 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor FXR

  (230/230 = 100%)
(Homo sapiens (human))
BDBM50297941
PNG
(3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)iso...)
Show SMILES CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay


Bioorg Med Chem Lett 19: 4733-9 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output