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BDBM50336394 CHEMBL1668253::rac-2-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)-4-methylthiazole-5-carboxylic acid

SMILES: Cc1nc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)sc1C(O)=O

InChI Key: InChIKey=BJLCEFDFIQCWIA-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336394   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM50336394
PNG
(CHEMBL1668253 | rac-2-(2-(2-(4-chlorophenyl)-5,6-d...)
Show SMILES Cc1nc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)sc1C(O)=O
Show InChI InChI=1S/C26H23ClF2N4O3S/c1-13-22(25(35)36)37-26(30-13)32-24(34)21(14-5-3-2-4-6-14)33-20-12-18(29)17(28)11-19(20)31-23(33)15-7-9-16(27)10-8-15/h7-12,14,21H,2-6H2,1H3,(H,35,36)(H,30,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.04E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

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))
BDBM50336394
PNG
(CHEMBL1668253 | rac-2-(2-(2-(4-chlorophenyl)-5,6-d...)
Show SMILES Cc1nc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)sc1C(O)=O
Show InChI InChI=1S/C26H23ClF2N4O3S/c1-13-22(25(35)36)37-26(30-13)32-24(34)21(14-5-3-2-4-6-14)33-20-12-18(29)17(28)11-19(20)31-23(33)15-7-9-16(27)10-8-15/h7-12,14,21H,2-6H2,1H3,(H,35,36)(H,30,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

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