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BDBM312344 2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclohex-1-enecarboxylic acid::US9604977, Example 90

SMILES: OC(=O)C1=C(CCCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F

InChI Key: InChIKey=VFGQKHNIOXNFLW-UHFFFAOYSA-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 = 312344   
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))
BDBM312344
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2O4S2/c20-19(21,22)13-8-29-16(23-13)14-11-5-6-28-7-12(11)30-17(14)24-15(25)9-3-1-2-4-10(9)18(26)27/h8H,1-7H2,(H,24,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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))
BDBM312344
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2O4S2/c20-19(21,22)13-8-29-16(23-13)14-11-5-6-28-7-12(11)30-17(14)24-15(25)9-3-1-2-4-10(9)18(26)27/h8H,1-7H2,(H,24,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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