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BDBM50172373 CHEMBL197473::Cyclopropanecarboxylic acid (8-methoxy-2,2-dimethyl-2H-chromen-7-ylmethyl)-phenyl-amide

SMILES: COc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2C=CC(C)(C)Oc12

InChI Key: InChIKey=AYBGMHSHUIBQAY-UHFFFAOYSA-N

Data: 2 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 = 50172373   
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))
BDBM50172373
PNG
(CHEMBL197473 | Cyclopropanecarboxylic acid (8-meth...)
Show SMILES COc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2C=CC(C)(C)Oc12 |c:22|
Show InChI InChI=1S/C23H25NO3/c1-23(2)14-13-16-9-12-18(20(26-3)21(16)27-23)15-24(22(25)17-10-11-17)19-7-5-4-6-8-19/h4-9,12-14,17H,10-11,15H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Effective concentration towards farnesoid X receptor (FXR); Range is 5-10 uM


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50172373
PNG
(CHEMBL197473 | Cyclopropanecarboxylic acid (8-meth...)
Show SMILES COc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2C=CC(C)(C)Oc12 |c:22|
Show InChI InChI=1S/C23H25NO3/c1-23(2)14-13-16-9-12-18(20(26-3)21(16)27-23)15-24(22(25)17-10-11-17)19-7-5-4-6-8-19/h4-9,12-14,17H,10-11,15H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against farnesoid X receptor (FXR); range is 5-10 uM


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair