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BDBM312404 2-[6,6-Difluoro-3-(4-methyl-thiazol-2-yl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl-carbamoyl]-cyclopent-1-enecarboxylic acid::US9604977, Example 150

SMILES: Cc1csc(n1)-c1c2CCC(F)(F)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O

InChI Key: InChIKey=LVMJRELONBOYJX-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 = 312404   
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))
BDBM312404
PNG
(2-[6,6-Difluoro-3-(4-methyl-thiazol-2-yl)-4,5,6,7-...)
Show SMILES Cc1csc(n1)-c1c2CCC(F)(F)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O
Show InChI InChI=1S/C19H18F2N2O3S2/c1-9-8-27-16(22-9)14-12-5-6-19(20,21)7-13(12)28-17(14)23-15(24)10-3-2-4-11(10)18(25)26/h8H,2-7H2,1H3,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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))
BDBM312404
PNG
(2-[6,6-Difluoro-3-(4-methyl-thiazol-2-yl)-4,5,6,7-...)
Show SMILES Cc1csc(n1)-c1c2CCC(F)(F)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O
Show InChI InChI=1S/C19H18F2N2O3S2/c1-9-8-27-16(22-9)14-12-5-6-19(20,21)7-13(12)28-17(14)23-15(24)10-3-2-4-11(10)18(25)26/h8H,2-7H2,1H3,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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