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SMILES: Cc1c(C(=O)C(=O)NC2(COC2)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1

InChI Key: InChIKey=OSDGRCKRFQBWTF-UHFFFAOYSA-N

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 3 hits for monomerid = 400028   
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
Sodium/bile acid cotransporter


(Homo sapiens (Human))
BDBM400028
PNG
(N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-oxo-2-((...)
Show SMILES Cc1c(C(=O)C(=O)NC2(COC2)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H18ClF4N3O4/c1-10-15(17(30)19(32)28-20(8-33-9-20)21(24,25)26)14-3-2-6-29(14)16(10)18(31)27-11-4-5-13(23)12(22)7-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,27,31)(H,28,32)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.80n/an/an/an/a



University of California at Los Angeles



Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Bioorg Med Chem 17: 7174-85 (2009)


BindingDB Entry DOI: 10.7270/Q28G8P1P
More data for this
Ligand-Target Pair
Sodium/bile acid cotransporter


(Homo sapiens (Human))
BDBM400028
PNG
(N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-oxo-2-((...)
Show SMILES Cc1c(C(=O)C(=O)NC2(COC2)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H18ClF4N3O4/c1-10-15(17(30)19(32)28-20(8-33-9-20)21(24,25)26)14-3-2-6-29(14)16(10)18(31)27-11-4-5-13(23)12(22)7-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,27,31)(H,28,32)
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.80n/an/an/an/a



Celgene Quantical Research, Inc.

US Patent




US Patent US9714230 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8X9J
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM400028
PNG
(N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-oxo-2-((...)
Show SMILES Cc1c(C(=O)C(=O)NC2(COC2)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H18ClF4N3O4/c1-10-15(17(30)19(32)28-20(8-33-9-20)21(24,25)26)14-3-2-6-29(14)16(10)18(31)27-11-4-5-13(23)12(22)7-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,27,31)(H,28,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.80n/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


US Patent US10874640 (2020)


BindingDB Entry DOI: 10.7270/Q2KD220M
More data for this
Ligand-Target Pair