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1 similar compounds to monomer 50336388

Compile data set for download or QSAR
Wt: 561.0
BDBM50336396

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336396   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM50336396
PNG
(CHEMBL1668262 | trans-4-((2S)-2-(2-(4-chloro-2-met...)
Show SMILES COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(Cl)n1
Show InChI InChI=1S/C28H31ClF2N4O4/c1-39-23-12-11-18(25(29)34-23)26-33-21-13-19(30)20(31)14-22(21)35(26)24(15-5-3-2-4-6-15)27(36)32-17-9-7-16(8-10-17)28(37)38/h11-17,24H,2-10H2,1H3,(H,32,36)(H,37,38)/t16-,17-,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human FXR by luciferase reporter gene transactivation assay


Bioorg Med Chem Lett 21: 1134-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.123
BindingDB Entry DOI: 10.7270/Q2MS3T1N
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50336396
PNG
(CHEMBL1668262 | trans-4-((2S)-2-(2-(4-chloro-2-met...)
Show SMILES COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(Cl)n1
Show InChI InChI=1S/C28H31ClF2N4O4/c1-39-23-12-11-18(25(29)34-23)26-33-21-13-19(30)20(31)14-22(21)35(26)24(15-5-3-2-4-6-15)27(36)32-17-9-7-16(8-10-17)28(37)38/h11-17,24H,2-10H2,1H3,(H,32,36)(H,37,38)/t16-,17-,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Displacement of radioligand from human FXR by scintillation proximity assay


Bioorg Med Chem Lett 21: 1134-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.123
BindingDB Entry DOI: 10.7270/Q2MS3T1N
More data for this
Ligand-Target Pair