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BDBM312453 2-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl]-cyclohex-1-enecarboxylic acid::US9604977, Example 199

SMILES: OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(ns1)C1CC1

InChI Key: InChIKey=LWRZNUDGZAKDPB-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 = 312453   
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))
BDBM312453
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-6,6-di...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(ns1)C1CC1
Show InChI InChI=1S/C21H21F2N3O3S2/c22-21(23)8-7-13-14(9-21)30-18(15(13)19-24-16(26-31-19)10-5-6-10)25-17(27)11-3-1-2-4-12(11)20(28)29/h10H,1-9H2,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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))
BDBM312453
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-6,6-di...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(ns1)C1CC1
Show InChI InChI=1S/C21H21F2N3O3S2/c22-21(23)8-7-13-14(9-21)30-18(15(13)19-24-16(26-31-19)10-5-6-10)25-17(27)11-3-1-2-4-12(11)20(28)29/h10H,1-9H2,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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