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BDBM322151 US10183917, Example 33

SMILES: OC(=O)c1cnc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1

InChI Key: InChIKey=UQYZGCFHAXXODZ-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 322151   
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))
BDBM322151
PNG
(US10183917, Example 33)
Show SMILES OC(=O)c1cnc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1
Show InChI InChI=1S/C26H19Cl2N3O5/c27-17-2-1-3-18(28)23(17)24-16(25(36-31-24)13-4-5-13)12-34-22-9-14-6-7-19-20(35-21(14)11-30-22)8-15(10-29-19)26(32)33/h1-3,8-11,13H,4-7,12H2,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 18n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

US Patent


Assay Description
Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3...


US Patent US10183917 (2019)


BindingDB Entry DOI: 10.7270/Q2H41THP
More data for this
Ligand-Target Pair