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SMILES: OC(=O)c1csc2cc(ccc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2

InChI Key:

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 = 50553986   
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))
BDBM50553986
PNG
(CHEMBL4794704)
Show SMILES OC(=O)c1csc2cc(ccc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:8:12:18.42.17:14.15|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.700n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01065
BindingDB Entry DOI: 10.7270/Q2PN9983
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50553986
PNG
(CHEMBL4794704)
Show SMILES OC(=O)c1csc2cc(ccc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:8:12:18.42.17:14.15|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 850n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01065
BindingDB Entry DOI: 10.7270/Q2PN9983
More data for this
Ligand-Target Pair