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BDBM312510 (R)-1-[[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid::US9604977, Example 256

SMILES: OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F

InChI Key: InChIKey=OJMIJXSYZBEDDN-SNVBAGLBSA-N

Data: 2 IC50

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 = 312510   
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
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM312510
PNG
((R)-1-[[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-y...)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O4S/c19-18(20,21)16-22-13(29-24-16)12-9-5-2-1-3-7-11(9)30-14(12)23-17(28)25-8-4-6-10(25)15(26)27/h10H,1-8H2,(H,23,28)(H,26,27)/t10-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 245n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312510
PNG
((R)-1-[[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-y...)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O4S/c19-18(20,21)16-22-13(29-24-16)12-9-5-2-1-3-7-11(9)30-14(12)23-17(28)25-8-4-6-10(25)15(26)27/h10H,1-8H2,(H,23,28)(H,26,27)/t10-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair