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BDBM322134 8-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-10,11-dihydrodibenzo[b,f]oxepine-3-carboxylic acid::US10183917, Example 1::US10183917, Example 2

SMILES: OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1

InChI Key: InChIKey=DCDHLZQZFDFFHL-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 = 322134   
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))
BDBM322134
PNG
(8-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4...)
Show SMILES OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C28H21Cl2NO5/c29-21-2-1-3-22(30)25(21)26-20(27(36-31-26)16-6-7-16)14-34-19-10-11-23-17(12-19)8-4-15-5-9-18(28(32)33)13-24(15)35-23/h1-3,5,9-13,16H,4,6-8,14H2,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4n/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
Bile acid receptor


(Homo sapiens (Human))
BDBM322134
PNG
(8-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4...)
Show SMILES OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
Show InChI InChI=1S/C28H21Cl2NO5/c29-21-2-1-3-22(30)25(21)26-20(27(36-31-26)16-6-7-16)14-34-19-10-11-23-17(12-19)8-4-15-5-9-18(28(32)33)13-24(15)35-23/h1-3,5,9-13,16H,4,6-8,14H2,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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